(2,4-diamino-5-methylquinazolin-6-yl)methanol

C10H12N4O — CID 57308602

IUPAC(2,4-diamino-5-methylquinazolin-6-yl)methanol
SMILESCc1c(CO)ccc2nc(N)nc(N)c12
InChIInChI=1S/C10H12N4O/c1-5-6(4-15)2-3-7-8(5)9(11)14-10(12)13-7/h2-3,15H,4H2,1H3,(H4,11,12,13,14)
InChIKeyLOONFGUPWWRNSH-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.59
Rot. Bonds1

About (2,4-diamino-5-methylquinazolin-6-yl)methanol

(2,4-diamino-5-methylquinazolin-6-yl)methanol (PubChem CID 57308602) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is (2,4-diamino-5-methylquinazolin-6-yl)methanol.

Molecular Properties

Compound Name(2,4-diamino-5-methylquinazolin-6-yl)methanol
PubChem CID57308602
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name(2,4-diamino-5-methylquinazolin-6-yl)methanol
SMILESCc1c(CO)ccc2nc(N)nc(N)c12
InChIInChI=1S/C10H12N4O/c1-5-6(4-15)2-3-7-8(5)9(11)14-10(12)13-7/h2-3,15H,4H2,1H3,(H4,11,12,13,14)
InChIKeyLOONFGUPWWRNSH-UHFFFAOYSA-N
XLogP0.59
TPSA98.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,4-diamino-5-methylquinazolin-6-yl)methanol?
The IUPAC name of (2,4-diamino-5-methylquinazolin-6-yl)methanol (CID 57308602) is (2,4-diamino-5-methylquinazolin-6-yl)methanol.
What is the SMILES notation for (2,4-diamino-5-methylquinazolin-6-yl)methanol?
The canonical SMILES for (2,4-diamino-5-methylquinazolin-6-yl)methanol is Cc1c(CO)ccc2nc(N)nc(N)c12.
What is the InChIKey of (2,4-diamino-5-methylquinazolin-6-yl)methanol?
The InChIKey is LOONFGUPWWRNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-5-6(4-15)2-3-7-8(5)9(11)14-10(12)13-7/h2-3,15H,4H2,1H3,(H4,11,12,13,14).
What are the key properties of (2,4-diamino-5-methylquinazolin-6-yl)methanol?
(2,4-diamino-5-methylquinazolin-6-yl)methanol has a molecular weight of 204.23 g/mol, XLogP of 0.59, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-diamino-5-methylquinazolin-6-yl)methanol is sourced from PubChem (CID 57308602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).