4-N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]pyrido[2,3-d]pyrimidine-4,7-diamine

C19H23N5O2 — CID 133431146

IUPAC4-N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESCOc1ccc(CC(C)CNc2ncnc3nc(N)ccc23)cc1OC
InChIInChI=1S/C19H23N5O2/c1-12(8-13-4-6-15(25-2)16(9-13)26-3)10-21-18-14-5-7-17(20)24-19(14)23-11-22-18/h4-7,9,11-12H,8,10H2,1-3H3,(H3,20,21,22,23,24)
InChIKeyAMKUJAYMELJFBQ-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.91
Rot. Bonds7

About 4-N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]pyrido[2,3-d]pyrimidine-4,7-diamine

4-N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]pyrido[2,3-d]pyrimidine-4,7-diamine (PubChem CID 133431146) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]pyrido[2,3-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name4-N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]pyrido[2,3-d]pyrimidine-4,7-diamine
PubChem CID133431146
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name4-N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESCOc1ccc(CC(C)CNc2ncnc3nc(N)ccc23)cc1OC
InChIInChI=1S/C19H23N5O2/c1-12(8-13-4-6-15(25-2)16(9-13)26-3)10-21-18-14-5-7-17(20)24-19(14)23-11-22-18/h4-7,9,11-12H,8,10H2,1-3H3,(H3,20,21,22,23,24)
InChIKeyAMKUJAYMELJFBQ-UHFFFAOYSA-N
XLogP2.91
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]pyrido[2,3-b]pyrazin-6-amine
CID 133431137
N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-5-methylpyrimidin-2-amine
CID 133431166
2-[[3-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]pyridine-3-carbonitrile
CID 133431142
3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 64665230
4-N-(cyclopropylmethyl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133408710
6-chloro-N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-methylpyrimidin-4-amine
CID 133431138
4-N-[2-(4-propan-2-ylphenoxy)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133409681
N-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 21002356
N-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxyquinazolin-4-amine
CID 90489034
4-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133409461
2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-1-(furan-2-yl)ethanol
CID 133396318
N-[(2R)-3-(3,4-dimethoxyphenyl)-2-methylpropyl]acetamide
CID 97249003

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The IUPAC name of 4-N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]pyrido[2,3-d]pyrimidine-4,7-diamine (CID 133431146) is 4-N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]pyrido[2,3-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 4-N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The canonical SMILES for 4-N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]pyrido[2,3-d]pyrimidine-4,7-diamine is COc1ccc(CC(C)CNc2ncnc3nc(N)ccc23)cc1OC.
What is the InChIKey of 4-N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The InChIKey is AMKUJAYMELJFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-12(8-13-4-6-15(25-2)16(9-13)26-3)10-21-18-14-5-7-17(20)24-19(14)23-11-22-18/h4-7,9,11-12H,8,10H2,1-3H3,(H3,20,21,22,23,24).
What are the key properties of 4-N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
4-N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]pyrido[2,3-d]pyrimidine-4,7-diamine has a molecular weight of 353.43 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]pyrido[2,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 133431146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).