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

C17H20N6O2 — CID 21146375

IUPAC6-[[(3,4-dimethoxyphenyl)methylamino]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCOc1ccc(CNCc2ccc3nc(N)nc(N)c3n2)cc1OC
InChIInChI=1S/C17H20N6O2/c1-24-13-6-3-10(7-14(13)25-2)8-20-9-11-4-5-12-15(21-11)16(18)23-17(19)22-12/h3-7,20H,8-9H2,1-2H3,(H4,18,19,22,23)
InChIKeyGGZLATJOBPSSRF-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.50
Rot. Bonds6

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

6-[[(3,4-dimethoxyphenyl)methylamino]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine (PubChem CID 21146375) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 6-[[(3,4-dimethoxyphenyl)methylamino]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[[(3,4-dimethoxyphenyl)methylamino]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
PubChem CID21146375
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name6-[[(3,4-dimethoxyphenyl)methylamino]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCOc1ccc(CNCc2ccc3nc(N)nc(N)c3n2)cc1OC
InChIInChI=1S/C17H20N6O2/c1-24-13-6-3-10(7-14(13)25-2)8-20-9-11-4-5-12-15(21-11)16(18)23-17(19)22-12/h3-7,20H,8-9H2,1-2H3,(H4,18,19,22,23)
InChIKeyGGZLATJOBPSSRF-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-[[(2,4-dimethoxyphenyl)methylamino]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 21146376
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 737219
5-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4,5-triamine
CID 516684
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3,4-dimethoxyphenyl)methanamine
CID 60615931
1-(3,4-dimethoxyphenyl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine
CID 119113161
(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methanol
CID 13345225
1-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62759037
4-[[(3,4-dimethoxyphenyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103238935
5-[(3,4-dimethoxyphenyl)methoxy]quinazoline-2,4-diamine
CID 66924159
CID 11303039
CID 11303039
1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine
CID 30611503
N-[(3,4-dimethoxyphenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine
CID 51086176

Frequently Asked Questions

What is the IUPAC name of 6-[[(3,4-dimethoxyphenyl)methylamino]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-[[(3,4-dimethoxyphenyl)methylamino]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine (CID 21146375) is 6-[[(3,4-dimethoxyphenyl)methylamino]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[[(3,4-dimethoxyphenyl)methylamino]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-[[(3,4-dimethoxyphenyl)methylamino]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine is COc1ccc(CNCc2ccc3nc(N)nc(N)c3n2)cc1OC.
What is the InChIKey of 6-[[(3,4-dimethoxyphenyl)methylamino]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is GGZLATJOBPSSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-24-13-6-3-10(7-14(13)25-2)8-20-9-11-4-5-12-15(21-11)16(18)23-17(19)22-12/h3-7,20H,8-9H2,1-2H3,(H4,18,19,22,23).
What are the key properties of 6-[[(3,4-dimethoxyphenyl)methylamino]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine?
6-[[(3,4-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-[[(3,4-dimethoxyphenyl)methylamino]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 21146375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).