5-methylpyrimido[4,5-d]pyrimidine-2,4-diamine

C7H8N6 — CID 134914565

IUPAC5-methylpyrimido[4,5-d]pyrimidine-2,4-diamine
SMILESCc1ncnc2nc(N)nc(N)c12
InChIInChI=1S/C7H8N6/c1-3-4-5(8)12-7(9)13-6(4)11-2-10-3/h2H,1H3,(H4,8,9,10,11,12,13)
InChIKeyLQFYSSBEZACUOI-UHFFFAOYSA-N
MW176.18 g/mol
LogP-0.11
Rot. Bonds

About 5-methylpyrimido[4,5-d]pyrimidine-2,4-diamine

5-methylpyrimido[4,5-d]pyrimidine-2,4-diamine (PubChem CID 134914565) has the molecular formula C7H8N6 and a molecular weight of 176.18 g/mol. Its IUPAC name is 5-methylpyrimido[4,5-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-methylpyrimido[4,5-d]pyrimidine-2,4-diamine
PubChem CID134914565
Molecular FormulaC7H8N6
Molecular Weight176.18 g/mol
Exact Mass176.08
IUPAC Name5-methylpyrimido[4,5-d]pyrimidine-2,4-diamine
SMILESCc1ncnc2nc(N)nc(N)c12
InChIInChI=1S/C7H8N6/c1-3-4-5(8)12-7(9)13-6(4)11-2-10-3/h2H,1H3,(H4,8,9,10,11,12,13)
InChIKeyLQFYSSBEZACUOI-UHFFFAOYSA-N
XLogP-0.11
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-4,7-dimethylpyrido[2,3-d]pyrimidine
CID 176567244
5-methyl-6-pentylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride
CID 44531624
(2,4-diamino-5,7-dimethylpyrido[2,3-d]pyrimidin-6-yl)methanol
CID 14077655
5-ethylpyrimido[4,5-d]pyrimidine-2,4,7-triamine
CID 91620948
5-bromo-6-methylpyrimidin-4-amine
CID 604534
6-methyl-5-phenylpyrido[2,3-d]pyrimidine-2,4,7-triamine
CID 154099945
6-benzyl-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 44531577
(2,4-diamino-5-propylpyrido[2,3-d]pyrimidin-6-yl)methanol
CID 19436890
3-(1-methylimidazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 168968543
5,7-dimethyl-6-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride
CID 44531556
4-methylthieno[2,3-d]pyrimidin-5-amine
CID 82375365
5-methylquinazoline-2,4,6-triamine
CID 13413778

Frequently Asked Questions

What is the IUPAC name of 5-methylpyrimido[4,5-d]pyrimidine-2,4-diamine?
The IUPAC name of 5-methylpyrimido[4,5-d]pyrimidine-2,4-diamine (CID 134914565) is 5-methylpyrimido[4,5-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-methylpyrimido[4,5-d]pyrimidine-2,4-diamine?
The canonical SMILES for 5-methylpyrimido[4,5-d]pyrimidine-2,4-diamine is Cc1ncnc2nc(N)nc(N)c12.
What is the InChIKey of 5-methylpyrimido[4,5-d]pyrimidine-2,4-diamine?
The InChIKey is LQFYSSBEZACUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6/c1-3-4-5(8)12-7(9)13-6(4)11-2-10-3/h2H,1H3,(H4,8,9,10,11,12,13).
What are the key properties of 5-methylpyrimido[4,5-d]pyrimidine-2,4-diamine?
5-methylpyrimido[4,5-d]pyrimidine-2,4-diamine has a molecular weight of 176.18 g/mol, XLogP of -0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylpyrimido[4,5-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 134914565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).