6-[(3,5-dimethoxy-N-methylanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine

C17H20N6O2 — CID 101123264

IUPAC6-[(3,5-dimethoxy-N-methylanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCOc1cc(OC)cc(N(C)Cc2cnc3nc(N)nc(N)c3c2)c1
InChIInChI=1S/C17H20N6O2/c1-23(11-5-12(24-2)7-13(6-11)25-3)9-10-4-14-15(18)21-17(19)22-16(14)20-8-10/h4-8H,9H2,1-3H3,(H4,18,19,20,21,22)
InChIKeyNNCXBXOMOHWZJG-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.84
Rot. Bonds5

About 6-[(3,5-dimethoxy-N-methylanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine

6-[(3,5-dimethoxy-N-methylanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 101123264) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 6-[(3,5-dimethoxy-N-methylanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[(3,5-dimethoxy-N-methylanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID101123264
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name6-[(3,5-dimethoxy-N-methylanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCOc1cc(OC)cc(N(C)Cc2cnc3nc(N)nc(N)c3c2)c1
InChIInChI=1S/C17H20N6O2/c1-23(11-5-12(24-2)7-13(6-11)25-3)9-10-4-14-15(18)21-17(19)22-16(14)20-8-10/h4-8H,9H2,1-3H3,(H4,18,19,20,21,22)
InChIKeyNNCXBXOMOHWZJG-UHFFFAOYSA-N
XLogP1.84
TPSA112.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-N-(2,5-dimethoxyphenyl)-6-N-methylpyrido[2,3-d]pyrimidine-2,4,6-triamine
CID 71681187
5-methoxy-3-N-methyl-3-N-(pyridin-4-ylmethyl)benzene-1,3-diamine
CID 80730531
3-N-benzyl-5-methoxy-3-N-methylbenzene-1,3-diamine
CID 80726366
6-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-3-amine
CID 115486915
6-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine
CID 8793303
5-[(3-methoxy-N-methylanilino)methyl]-N-methylpyridin-2-amine
CID 55046271
2-N-[(4-methoxyphenyl)methyl]-2-N,5-dimethylpyridine-2,3-diamine
CID 66277992
5-[(4-methoxy-N-methylanilino)methyl]-2-methylaniline
CID 62003414
6-N-[(3-methoxyphenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine
CID 115669342
3,5-dichloro-6-N-[(4-methoxyphenyl)methyl]-6-N-methylpyridine-2,6-diamine
CID 102756549
4-N-[(4-methoxyphenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80794758
6-[(2-chlorocyclohexa-2,4-dien-1-yl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 501263

Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-dimethoxy-N-methylanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-[(3,5-dimethoxy-N-methylanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine (CID 101123264) is 6-[(3,5-dimethoxy-N-methylanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[(3,5-dimethoxy-N-methylanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-[(3,5-dimethoxy-N-methylanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine is COc1cc(OC)cc(N(C)Cc2cnc3nc(N)nc(N)c3c2)c1.
What is the InChIKey of 6-[(3,5-dimethoxy-N-methylanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is NNCXBXOMOHWZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-23(11-5-12(24-2)7-13(6-11)25-3)9-10-4-14-15(18)21-17(19)22-16(14)20-8-10/h4-8H,9H2,1-3H3,(H4,18,19,20,21,22).
What are the key properties of 6-[(3,5-dimethoxy-N-methylanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
6-[(3,5-dimethoxy-N-methylanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 340.39 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-dimethoxy-N-methylanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 101123264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).