6-[[(2,4-dimethoxyphenyl)methylamino]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine

C17H20N6O2 — CID 21146376

IUPAC6-[[(2,4-dimethoxyphenyl)methylamino]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCOc1ccc(CNCc2ccc3nc(N)nc(N)c3n2)c(OC)c1
InChIInChI=1S/C17H20N6O2/c1-24-12-5-3-10(14(7-12)25-2)8-20-9-11-4-6-13-15(21-11)16(18)23-17(19)22-13/h3-7,20H,8-9H2,1-2H3,(H4,18,19,22,23)
InChIKeyYAHIIPZODTUTMS-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.50
Rot. Bonds6

About 6-[[(2,4-dimethoxyphenyl)methylamino]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine

6-[[(2,4-dimethoxyphenyl)methylamino]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine (PubChem CID 21146376) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 6-[[(2,4-dimethoxyphenyl)methylamino]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[[(2,4-dimethoxyphenyl)methylamino]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
PubChem CID21146376
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name6-[[(2,4-dimethoxyphenyl)methylamino]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCOc1ccc(CNCc2ccc3nc(N)nc(N)c3n2)c(OC)c1
InChIInChI=1S/C17H20N6O2/c1-24-12-5-3-10(14(7-12)25-2)8-20-9-11-4-6-13-15(21-11)16(18)23-17(19)22-13/h3-7,20H,8-9H2,1-2H3,(H4,18,19,22,23)
InChIKeyYAHIIPZODTUTMS-UHFFFAOYSA-N
XLogP1.50
TPSA121.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

6-[[(3,4-dimethoxyphenyl)methylamino]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 21146375
1-(2,4-dimethoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]methanamine
CID 80708230
2-[(2,4-dimethoxyphenyl)methylamino]ethanethiol
CID 115223928
1-(2,4-dimethoxyphenyl)-N-[(3,5-dimethoxyphenyl)methyl]methanamine;hydrochloride
CID 47020695
2-[[(2,4-dimethoxyphenyl)methylamino]methyl]phenol
CID 62732592
1-(2,4-dimethoxyphenyl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine
CID 115967968
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoropropan-1-amine
CID 81105409
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 738572
1-(2,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 39370180
1-(3-chloro-4-fluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine
CID 62537275
4-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoropyrimidine-2,4-diamine
CID 80829199
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxy-4-methylphenyl)methanamine
CID 122598505

Frequently Asked Questions

What is the IUPAC name of 6-[[(2,4-dimethoxyphenyl)methylamino]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-[[(2,4-dimethoxyphenyl)methylamino]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine (CID 21146376) is 6-[[(2,4-dimethoxyphenyl)methylamino]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[[(2,4-dimethoxyphenyl)methylamino]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-[[(2,4-dimethoxyphenyl)methylamino]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine is COc1ccc(CNCc2ccc3nc(N)nc(N)c3n2)c(OC)c1.
What is the InChIKey of 6-[[(2,4-dimethoxyphenyl)methylamino]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is YAHIIPZODTUTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-24-12-5-3-10(14(7-12)25-2)8-20-9-11-4-6-13-15(21-11)16(18)23-17(19)22-13/h3-7,20H,8-9H2,1-2H3,(H4,18,19,22,23).
What are the key properties of 6-[[(2,4-dimethoxyphenyl)methylamino]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine?
6-[[(2,4-dimethoxyphenyl)methylamino]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 340.39 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2,4-dimethoxyphenyl)methylamino]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 21146376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).