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

C18H22ClN5O2 — CID 44531541

IUPAC6-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride
SMILESCOc1ccc(Cc2c(C)nc3nc(N)nc(N)c3c2C)cc1OC.Cl
InChIInChI=1S/C18H21N5O2.ClH/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);1H
InChIKeyQPBABZGPOHRPBO-UHFFFAOYSA-N
MW375.86 g/mol
LogP2.84
Rot. Bonds4

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

6-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride (PubChem CID 44531541) has the molecular formula C18H22ClN5O2 and a molecular weight of 375.86 g/mol. Its IUPAC name is 6-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name6-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride
PubChem CID44531541
Molecular FormulaC18H22ClN5O2
Molecular Weight375.86 g/mol
Exact Mass375.15
IUPAC Name6-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride
SMILESCOc1ccc(Cc2c(C)nc3nc(N)nc(N)c3c2C)cc1OC.Cl
InChIInChI=1S/C18H21N5O2.ClH/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);1H
InChIKeyQPBABZGPOHRPBO-UHFFFAOYSA-N
XLogP2.84
TPSA109.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.84
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;hydrochloride?
The IUPAC name of 6-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride (CID 44531541) is 6-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride.
What is the SMILES notation for 6-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride?
The canonical SMILES for 6-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride is COc1ccc(Cc2c(C)nc3nc(N)nc(N)c3c2C)cc1OC.Cl.
What is the InChIKey of 6-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride?
The InChIKey is QPBABZGPOHRPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2.ClH/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);1H.
What are the key properties of 6-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride?
6-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride has a molecular weight of 375.86 g/mol, XLogP of 2.84, 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;hydrochloride is sourced from PubChem (CID 44531541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).