N-(2,2-dimethylpropyl)-2-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-8-amine

C24H31N5O2 — CID 146864840

IUPACN-(2,2-dimethylpropyl)-2-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-8-amine
SMILESCOc1cc(N2CCOCC2)ccc1Cc1ncc2ccnc(NCC(C)(C)C)c2n1
InChIInChI=1S/C24H31N5O2/c1-24(2,3)16-27-23-22-18(7-8-25-23)15-26-21(28-22)13-17-5-6-19(14-20(17)30-4)29-9-11-31-12-10-29/h5-8,14-15H,9-13,16H2,1-4H3,(H,25,27)
InChIKeySLQRZBDYNNQNPI-UHFFFAOYSA-N
MW421.55 g/mol
LogP3.92
Rot. Bonds6

About N-(2,2-dimethylpropyl)-2-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-8-amine

N-(2,2-dimethylpropyl)-2-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-8-amine (PubChem CID 146864840) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-8-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-8-amine
PubChem CID146864840
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC NameN-(2,2-dimethylpropyl)-2-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-8-amine
SMILESCOc1cc(N2CCOCC2)ccc1Cc1ncc2ccnc(NCC(C)(C)C)c2n1
InChIInChI=1S/C24H31N5O2/c1-24(2,3)16-27-23-22-18(7-8-25-23)15-26-21(28-22)13-17-5-6-19(14-20(17)30-4)29-9-11-31-12-10-29/h5-8,14-15H,9-13,16H2,1-4H3,(H,25,27)
InChIKeySLQRZBDYNNQNPI-UHFFFAOYSA-N
XLogP3.92
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2,2-dimethylpropyl)-2-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-8-amine with MolForge

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Related Compounds

4-[3,5-dimethoxy-4-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine
CID 135200868
4-[4-(1,1-dimethoxyethyl)-3-methoxyphenyl]morpholine
CID 174708451
2-[[2-[(2-ethoxy-4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide
CID 58235648
N-(2,2-dimethylpropyl)-4-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)aniline
CID 172536023
5-chloro-2-[(2-methoxy-4-piperazin-1-ylphenyl)methyl]-N-phenylpyrimidin-4-amine
CID 177118014
N-(2,2-dimethylpropyl)-4-morpholin-4-ylaniline
CID 20785895
N-(2,2-dimethylpropyl)-6,7-dimethoxyisoquinolin-1-amine
CID 106537879
[7-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol
CID 177284631
8-(3,3-difluoropyrrolidin-1-yl)-2-[[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrido[3,4-d]pyrimidine
CID 148509114
[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
N-(2,2-dimethylpropyl)-5-morpholin-4-yl-2-nitroaniline
CID 2959576
[7-(2-methoxy-4-morpholin-4-ylphenyl)-4-(methylamino)thieno[3,2-d]pyrimidin-2-yl]methanol
CID 175988852

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-8-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-2-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-8-amine (CID 146864840) is N-(2,2-dimethylpropyl)-2-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-8-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-8-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-2-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-8-amine is COc1cc(N2CCOCC2)ccc1Cc1ncc2ccnc(NCC(C)(C)C)c2n1.
What is the InChIKey of N-(2,2-dimethylpropyl)-2-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-8-amine?
The InChIKey is SLQRZBDYNNQNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-24(2,3)16-27-23-22-18(7-8-25-23)15-26-21(28-22)13-17-5-6-19(14-20(17)30-4)29-9-11-31-12-10-29/h5-8,14-15H,9-13,16H2,1-4H3,(H,25,27).
What are the key properties of N-(2,2-dimethylpropyl)-2-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-8-amine?
N-(2,2-dimethylpropyl)-2-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-8-amine has a molecular weight of 421.55 g/mol, XLogP of 3.92, 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-morpholin-4-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-8-amine is sourced from PubChem (CID 146864840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).