pyrido[3,2-d]pyrimidine-2,4,6-triamine

C7H8N6 — CID 20978903

IUPACpyrido[3,2-d]pyrimidine-2,4,6-triamine
SMILESNc1ccc2nc(N)nc(N)c2n1
InChIInChI=1S/C7H8N6/c8-4-2-1-3-5(12-4)6(9)13-7(10)11-3/h1-2H,(H2,8,12)(H4,9,10,11,13)
InChIKeyMCCGQEONKPGCIP-UHFFFAOYSA-N
MW176.18 g/mol
LogP-0.23
Rot. Bonds

About pyrido[3,2-d]pyrimidine-2,4,6-triamine

pyrido[3,2-d]pyrimidine-2,4,6-triamine (PubChem CID 20978903) has the molecular formula C7H8N6 and a molecular weight of 176.18 g/mol. Its IUPAC name is pyrido[3,2-d]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Namepyrido[3,2-d]pyrimidine-2,4,6-triamine
PubChem CID20978903
Molecular FormulaC7H8N6
Molecular Weight176.18 g/mol
Exact Mass176.08
IUPAC Namepyrido[3,2-d]pyrimidine-2,4,6-triamine
SMILESNc1ccc2nc(N)nc(N)c2n1
InChIInChI=1S/C7H8N6/c8-4-2-1-3-5(12-4)6(9)13-7(10)11-3/h1-2H,(H2,8,12)(H4,9,10,11,13)
InChIKeyMCCGQEONKPGCIP-UHFFFAOYSA-N
XLogP-0.23
TPSA116.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Triamterene
CID 5546
6,11-Dihydroquinoxalino[2,3-b]quinoxaline
CID 616479
Quinoxaline-2,3-diamine
CID 241488
2,3-Dimethylpyrido[2,3-b]pyrazin-6-amine
CID 245625
Pyrido[2,3-b]pyrazin-6-amine
CID 246513
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 4c
CID 5328333
6-[(N-methylanilino)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 462103
6-Phenylsulfanylmethyl-pyrido[3,2-d]pyrimidine-2,4-diamine
CID 466050
1-Propyl-3,4,8-trimethyl-imidazo[1,5-a]pyrido[3,2-e]pyrazine
CID 24802891
6-benzyl-4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine
CID 166632022
2-Amino-4-phenylamino-6-methylpyrimidine
CID 608203
2,4-Diamino-6-piperidinopyrido(3,2-d)pyrimidine
CID 540720

Frequently Asked Questions

What is the IUPAC name of pyrido[3,2-d]pyrimidine-2,4,6-triamine?
The IUPAC name of pyrido[3,2-d]pyrimidine-2,4,6-triamine (CID 20978903) is pyrido[3,2-d]pyrimidine-2,4,6-triamine.
What is the SMILES notation for pyrido[3,2-d]pyrimidine-2,4,6-triamine?
The canonical SMILES for pyrido[3,2-d]pyrimidine-2,4,6-triamine is Nc1ccc2nc(N)nc(N)c2n1.
What is the InChIKey of pyrido[3,2-d]pyrimidine-2,4,6-triamine?
The InChIKey is MCCGQEONKPGCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6/c8-4-2-1-3-5(12-4)6(9)13-7(10)11-3/h1-2H,(H2,8,12)(H4,9,10,11,13).
What are the key properties of pyrido[3,2-d]pyrimidine-2,4,6-triamine?
pyrido[3,2-d]pyrimidine-2,4,6-triamine has a molecular weight of 176.18 g/mol, XLogP of -0.23, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyrido[3,2-d]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 20978903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).