6-N-phenyl-6-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4,6-triamine

C16H18N6 — CID 155568439

IUPAC6-N-phenyl-6-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4,6-triamine
SMILESCC(C)N(c1ccccc1)c1ccc2nc(N)nc(N)c2n1
InChIInChI=1S/C16H18N6/c1-10(2)22(11-6-4-3-5-7-11)13-9-8-12-14(20-13)15(17)21-16(18)19-12/h3-10H,1-2H3,(H4,17,18,19,21)
InChIKeyOKARFPWOHARSPC-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.74
Rot. Bonds3

About 6-N-phenyl-6-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4,6-triamine

6-N-phenyl-6-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4,6-triamine (PubChem CID 155568439) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is 6-N-phenyl-6-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-phenyl-6-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4,6-triamine
PubChem CID155568439
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC Name6-N-phenyl-6-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4,6-triamine
SMILESCC(C)N(c1ccccc1)c1ccc2nc(N)nc(N)c2n1
InChIInChI=1S/C16H18N6/c1-10(2)22(11-6-4-3-5-7-11)13-9-8-12-14(20-13)15(17)21-16(18)19-12/h3-10H,1-2H3,(H4,17,18,19,21)
InChIKeyOKARFPWOHARSPC-UHFFFAOYSA-N
XLogP2.74
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Triamterene
CID 5546
6,11-Dihydroquinoxalino[2,3-b]quinoxaline
CID 616479
N6-[2-[5-(diethylamino)pentan-2-ylamino]-6-methyl-4-pyrimidinyl]-2-methylquinoline-4,6-diamine
CID 409805
2-Quinoxalinecarbonitrile, 3-(4-(2-propenyl)-1-piperazinyl)-
CID 3073499
6-Amino-4-[(3-methylphenyl)amino]pyrido[3,4-d]pyrimidine
CID 5328375
6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328376
[N-(2,4-Diaminopteridin-6-YL)-methyl]-dibenz[B,F]azepine
CID 446744
4-N-(3-bromophenyl)pyrido[3,2-d]pyrimidine-4,6-diamine
CID 5328274
4-N-(3-bromophenyl)-6-N-methylpyrido[3,2-d]pyrimidine-4,6-diamine
CID 5328277
4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrido[3,2-d]pyrimidine-4,6-diamine
CID 5328278
Sotirimod
CID 6450818
4-Pteridinamine, 7-(4-(dimethylamino)phenyl)-
CID 3056069

Frequently Asked Questions

What is the IUPAC name of 6-N-phenyl-6-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-phenyl-6-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4,6-triamine (CID 155568439) is 6-N-phenyl-6-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-phenyl-6-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-phenyl-6-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4,6-triamine is CC(C)N(c1ccccc1)c1ccc2nc(N)nc(N)c2n1.
What is the InChIKey of 6-N-phenyl-6-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4,6-triamine?
The InChIKey is OKARFPWOHARSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6/c1-10(2)22(11-6-4-3-5-7-11)13-9-8-12-14(20-13)15(17)21-16(18)19-12/h3-10H,1-2H3,(H4,17,18,19,21).
What are the key properties of 6-N-phenyl-6-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4,6-triamine?
6-N-phenyl-6-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4,6-triamine has a molecular weight of 294.36 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-phenyl-6-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 155568439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).