6-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine

C18H21N5O2 — CID 44531542

IUPAC6-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCOc1ccc(Cc2c(C)nc3nc(N)nc(N)c3c2C)cc1OC
InChIInChI=1S/C18H21N5O2/c1-9-12(7-11-5-6-13(24-3)14(8-11)25-4)10(2)21-17-15(9)16(19)22-18(20)23-17/h5-6,8H,7H2,1-4H3,(H4,19,20,21,22,23)
InChIKeyTZRWNUJUMTVOQR-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.41
Rot. Bonds4

About 6-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine

6-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 44531542) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 6-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID44531542
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name6-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCOc1ccc(Cc2c(C)nc3nc(N)nc(N)c3c2C)cc1OC
InChIInChI=1S/C18H21N5O2/c1-9-12(7-11-5-6-13(24-3)14(8-11)25-4)10(2)21-17-15(9)16(19)22-18(20)23-17/h5-6,8H,7H2,1-4H3,(H4,19,20,21,22,23)
InChIKeyTZRWNUJUMTVOQR-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine (CID 44531542) is 6-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine is COc1ccc(Cc2c(C)nc3nc(N)nc(N)c3c2C)cc1OC.
What is the InChIKey of 6-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is TZRWNUJUMTVOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-9-12(7-11-5-6-13(24-3)14(8-11)25-4)10(2)21-17-15(9)16(19)22-18(20)23-17/h5-6,8H,7H2,1-4H3,(H4,19,20,21,22,23).
What are the key properties of 6-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine?
6-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 339.40 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 44531542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).