6-[1-(2,5-dimethoxyphenyl)ethyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine

C18H21N5O2 — CID 20978629

IUPAC6-[1-(2,5-dimethoxyphenyl)ethyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCOc1ccc(OC)c(C(C)c2cnc3nc(N)nc(N)c3c2C)c1
InChIInChI=1S/C18H21N5O2/c1-9(12-7-11(24-3)5-6-14(12)25-4)13-8-21-17-15(10(13)2)16(19)22-18(20)23-17/h5-9H,1-4H3,(H4,19,20,21,22,23)
InChIKeyJBALHAXOSNAWOH-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.67
Rot. Bonds4

About 6-[1-(2,5-dimethoxyphenyl)ethyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine

6-[1-(2,5-dimethoxyphenyl)ethyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 20978629) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 6-[1-(2,5-dimethoxyphenyl)ethyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[1-(2,5-dimethoxyphenyl)ethyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID20978629
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name6-[1-(2,5-dimethoxyphenyl)ethyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCOc1ccc(OC)c(C(C)c2cnc3nc(N)nc(N)c3c2C)c1
InChIInChI=1S/C18H21N5O2/c1-9(12-7-11(24-3)5-6-14(12)25-4)13-8-21-17-15(10(13)2)16(19)22-18(20)23-17/h5-9H,1-4H3,(H4,19,20,21,22,23)
InChIKeyJBALHAXOSNAWOH-UHFFFAOYSA-N
XLogP2.67
TPSA109.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy]butanoic acid
CID 6481073
5-[3-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy]pentanoic acid
CID 6481074
6-N-(2,5-dimethoxyphenyl)-6-N-methylpyrido[2,3-d]pyrimidine-2,4,6-triamine
CID 71681187
5-[1-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 11097745
(2,5-dimethoxyphenyl)-(5-methylpyrazin-2-yl)methanamine
CID 105145782
4-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrimidine-2-carboxamide
CID 154797193
5-[3-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenyl]pent-4-ynoic acid
CID 6481077
1-(2,5-dimethoxyphenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 82066787
(2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43197203
4,6-bis(2,5-dimethoxyphenyl)pyrimidin-2-amine
CID 75359779
6-[(3,4-dimethoxy-2,3-dihydroindol-1-yl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 3010902
(2,5-dimethoxyphenyl)-(2-methyl-1,3-thiazol-5-yl)methanamine
CID 113223365

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2,5-dimethoxyphenyl)ethyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-[1-(2,5-dimethoxyphenyl)ethyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine (CID 20978629) is 6-[1-(2,5-dimethoxyphenyl)ethyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[1-(2,5-dimethoxyphenyl)ethyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-[1-(2,5-dimethoxyphenyl)ethyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine is COc1ccc(OC)c(C(C)c2cnc3nc(N)nc(N)c3c2C)c1.
What is the InChIKey of 6-[1-(2,5-dimethoxyphenyl)ethyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is JBALHAXOSNAWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-9(12-7-11(24-3)5-6-14(12)25-4)13-8-21-17-15(10(13)2)16(19)22-18(20)23-17/h5-9H,1-4H3,(H4,19,20,21,22,23).
What are the key properties of 6-[1-(2,5-dimethoxyphenyl)ethyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine?
6-[1-(2,5-dimethoxyphenyl)ethyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 339.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2,5-dimethoxyphenyl)ethyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 20978629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).