N-(2,2-dimethylpropyl)-2-[[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylpyrido[3,4-d]pyrimidin-8-amine

C25H30N6O — CID 147736244

IUPACN-(2,2-dimethylpropyl)-2-[[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylpyrido[3,4-d]pyrimidin-8-amine
SMILESCOc1cc(-c2cnn(C)c2)ccc1Cc1ncc2c(C)cnc(NCC(C)(C)C)c2n1
InChIInChI=1S/C25H30N6O/c1-16-11-27-24(28-15-25(2,3)4)23-20(16)13-26-22(30-23)10-18-8-7-17(9-21(18)32-6)19-12-29-31(5)14-19/h7-9,11-14H,10,15H2,1-6H3,(H,27,28)
InChIKeyGZKOCMUQQIYEON-UHFFFAOYSA-N
MW430.56 g/mol
LogP4.79
Rot. Bonds6

About N-(2,2-dimethylpropyl)-2-[[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylpyrido[3,4-d]pyrimidin-8-amine

N-(2,2-dimethylpropyl)-2-[[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylpyrido[3,4-d]pyrimidin-8-amine (PubChem CID 147736244) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2-[[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylpyrido[3,4-d]pyrimidin-8-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2-[[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylpyrido[3,4-d]pyrimidin-8-amine
PubChem CID147736244
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC NameN-(2,2-dimethylpropyl)-2-[[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylpyrido[3,4-d]pyrimidin-8-amine
SMILESCOc1cc(-c2cnn(C)c2)ccc1Cc1ncc2c(C)cnc(NCC(C)(C)C)c2n1
InChIInChI=1S/C25H30N6O/c1-16-11-27-24(28-15-25(2,3)4)23-20(16)13-26-22(30-23)10-18-8-7-17(9-21(18)32-6)19-12-29-31(5)14-19/h7-9,11-14H,10,15H2,1-6H3,(H,27,28)
InChIKeyGZKOCMUQQIYEON-UHFFFAOYSA-N
XLogP4.79
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
N-(2,2-dimethylpropyl)-2-[[2-methoxy-4-(3-methyltriazol-4-yl)phenyl]methyl]-6-methylpyrido[3,4-d]pyrimidin-8-amine
CID 159726779
8-(3,3-difluoropyrrolidin-1-yl)-2-[[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrido[3,4-d]pyrimidine
CID 148509114
2-[[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-8-(3-methylpyrrolidin-1-yl)pyrido[3,4-d]pyrimidine
CID 147495459
2-[[2-ethoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidine
CID 147576638
N-(2,2-dimethylpropyl)-2-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-8-amine
CID 146864840
[4-[3-methoxy-4-[[8-[(2-methoxy-2-methylpropyl)amino]-6-methylpyrido[3,4-d]pyrimidin-2-yl]methyl]phenyl]-1-methylpyrazol-5-yl]methanol
CID 152953893
ethyl 2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]acetate
CID 139561792
2-[[4-(1,3-dimethylpyrazol-4-yl)-2-ethoxyphenyl]methyl]-N-(2-methoxy-2-methylpropyl)pyrido[3,4-d]pyrimidin-8-amine
CID 157409467
8-N-(3-methoxy-2,2-dimethylpropyl)-2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine
CID 73386983
2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-N-(3-methylbutyl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 90001440
2-methoxy-5-(1-methylpyrazol-4-yl)benzenethiol
CID 174151969

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2-[[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylpyrido[3,4-d]pyrimidin-8-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-2-[[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylpyrido[3,4-d]pyrimidin-8-amine (CID 147736244) is N-(2,2-dimethylpropyl)-2-[[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylpyrido[3,4-d]pyrimidin-8-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2-[[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylpyrido[3,4-d]pyrimidin-8-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-2-[[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylpyrido[3,4-d]pyrimidin-8-amine is COc1cc(-c2cnn(C)c2)ccc1Cc1ncc2c(C)cnc(NCC(C)(C)C)c2n1.
What is the InChIKey of N-(2,2-dimethylpropyl)-2-[[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylpyrido[3,4-d]pyrimidin-8-amine?
The InChIKey is GZKOCMUQQIYEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c1-16-11-27-24(28-15-25(2,3)4)23-20(16)13-26-22(30-23)10-18-8-7-17(9-21(18)32-6)19-12-29-31(5)14-19/h7-9,11-14H,10,15H2,1-6H3,(H,27,28).
What are the key properties of N-(2,2-dimethylpropyl)-2-[[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylpyrido[3,4-d]pyrimidin-8-amine?
N-(2,2-dimethylpropyl)-2-[[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylpyrido[3,4-d]pyrimidin-8-amine has a molecular weight of 430.56 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2-[[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylpyrido[3,4-d]pyrimidin-8-amine is sourced from PubChem (CID 147736244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).