2-[[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-5-methyl-N-[(3-methyloxetan-3-yl)methyl]pyrido[3,4-d]pyrimidin-8-amine

C24H27N7O2 — CID 159043460

IUPAC2-[[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-5-methyl-N-[(3-methyloxetan-3-yl)methyl]pyrido[3,4-d]pyrimidin-8-amine
SMILESCOc1cc(-c2nncn2C)ccc1Cc1ncc2c(C)cnc(NCC3(C)COC3)c2n1
InChIInChI=1S/C24H27N7O2/c1-15-9-26-22(27-11-24(2)12-33-13-24)21-18(15)10-25-20(29-21)8-16-5-6-17(7-19(16)32-4)23-30-28-14-31(23)3/h5-7,9-10,14H,8,11-13H2,1-4H3,(H,26,27)
InChIKeyJWJBSGSSKVYPCN-UHFFFAOYSA-N
MW445.53 g/mol
LogP3.18
Rot. Bonds7

About 2-[[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-5-methyl-N-[(3-methyloxetan-3-yl)methyl]pyrido[3,4-d]pyrimidin-8-amine

2-[[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-5-methyl-N-[(3-methyloxetan-3-yl)methyl]pyrido[3,4-d]pyrimidin-8-amine (PubChem CID 159043460) has the molecular formula C24H27N7O2 and a molecular weight of 445.53 g/mol. Its IUPAC name is 2-[[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-5-methyl-N-[(3-methyloxetan-3-yl)methyl]pyrido[3,4-d]pyrimidin-8-amine.

Molecular Properties

Compound Name2-[[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-5-methyl-N-[(3-methyloxetan-3-yl)methyl]pyrido[3,4-d]pyrimidin-8-amine
PubChem CID159043460
Molecular FormulaC24H27N7O2
Molecular Weight445.53 g/mol
Exact Mass445.22
IUPAC Name2-[[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-5-methyl-N-[(3-methyloxetan-3-yl)methyl]pyrido[3,4-d]pyrimidin-8-amine
SMILESCOc1cc(-c2nncn2C)ccc1Cc1ncc2c(C)cnc(NCC3(C)COC3)c2n1
InChIInChI=1S/C24H27N7O2/c1-15-9-26-22(27-11-24(2)12-33-13-24)21-18(15)10-25-20(29-21)8-16-5-6-17(7-19(16)32-4)23-30-28-14-31(23)3/h5-7,9-10,14H,8,11-13H2,1-4H3,(H,26,27)
InChIKeyJWJBSGSSKVYPCN-UHFFFAOYSA-N
XLogP3.18
TPSA99.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-5-methyl-N-[(3-methyloxetan-3-yl)methyl]pyrido[3,4-d]pyrimidin-8-amine with MolForge

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Related Compounds

N-(2,2-dimethylpropyl)-2-[[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylpyrido[3,4-d]pyrimidin-8-amine
CID 147736244
2-N-[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-N-[(3-methyloxolan-3-yl)methyl]pyrido[3,4-d]pyrimidine-2,8-diamine
CID 73386892
1-[2-[[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-6-methylpyrido[3,4-d]pyrimidin-8-yl]-3-methylpyrrolidin-3-ol
CID 147484392
6-[2-[[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-6-methylpyrido[3,4-d]pyrimidin-8-yl]-1-oxa-6-azaspiro[3.3]heptane
CID 159293902
1-[2-[[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-6-methylpyrido[3,4-d]pyrimidin-8-yl]-N,N-dimethylazetidin-3-amine
CID 149369981
N-(2,2-dimethylpropyl)-2-[[2-methoxy-4-(3-methyltriazol-4-yl)phenyl]methyl]-6-methylpyrido[3,4-d]pyrimidin-8-amine
CID 159726779
N-(2,2-dimethylpropyl)-2-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-8-amine
CID 146864840
2-N-[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-6-methyl-8-N-(oxetan-3-ylmethyl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 118348861
[4-[3-methoxy-4-[[8-[(3-methyloxolan-3-yl)methylamino]pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]-1-methylpyrazol-5-yl]methanol
CID 73291768
2-N-[2-(difluoromethoxy)-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-N-(2,2-dimethylpropyl)-6-methylpyrido[3,4-d]pyrimidine-2,8-diamine
CID 118348979
1-[4-[7-[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1,6-naphthyridin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 73388690
1-(2-methoxy-5-methylphenyl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 78957307

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-5-methyl-N-[(3-methyloxetan-3-yl)methyl]pyrido[3,4-d]pyrimidin-8-amine?
The IUPAC name of 2-[[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-5-methyl-N-[(3-methyloxetan-3-yl)methyl]pyrido[3,4-d]pyrimidin-8-amine (CID 159043460) is 2-[[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-5-methyl-N-[(3-methyloxetan-3-yl)methyl]pyrido[3,4-d]pyrimidin-8-amine.
What is the SMILES notation for 2-[[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-5-methyl-N-[(3-methyloxetan-3-yl)methyl]pyrido[3,4-d]pyrimidin-8-amine?
The canonical SMILES for 2-[[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-5-methyl-N-[(3-methyloxetan-3-yl)methyl]pyrido[3,4-d]pyrimidin-8-amine is COc1cc(-c2nncn2C)ccc1Cc1ncc2c(C)cnc(NCC3(C)COC3)c2n1.
What is the InChIKey of 2-[[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-5-methyl-N-[(3-methyloxetan-3-yl)methyl]pyrido[3,4-d]pyrimidin-8-amine?
The InChIKey is JWJBSGSSKVYPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2/c1-15-9-26-22(27-11-24(2)12-33-13-24)21-18(15)10-25-20(29-21)8-16-5-6-17(7-19(16)32-4)23-30-28-14-31(23)3/h5-7,9-10,14H,8,11-13H2,1-4H3,(H,26,27).
What are the key properties of 2-[[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-5-methyl-N-[(3-methyloxetan-3-yl)methyl]pyrido[3,4-d]pyrimidin-8-amine?
2-[[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-5-methyl-N-[(3-methyloxetan-3-yl)methyl]pyrido[3,4-d]pyrimidin-8-amine has a molecular weight of 445.53 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-5-methyl-N-[(3-methyloxetan-3-yl)methyl]pyrido[3,4-d]pyrimidin-8-amine is sourced from PubChem (CID 159043460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).