(2,4-diaminopyrimidin-5-yl)-phenylmethanone

C11H10N4O — CID 23423593

IUPAC(2,4-diaminopyrimidin-5-yl)-phenylmethanone
SMILESNc1ncc(C(=O)c2ccccc2)c(N)n1
InChIInChI=1S/C11H10N4O/c12-10-8(6-14-11(13)15-10)9(16)7-4-2-1-3-5-7/h1-6H,(H4,12,13,14,15)
InChIKeyFBHIZGIRQLCTPL-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.87
Rot. Bonds2

About (2,4-diaminopyrimidin-5-yl)-phenylmethanone

(2,4-diaminopyrimidin-5-yl)-phenylmethanone (PubChem CID 23423593) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is (2,4-diaminopyrimidin-5-yl)-phenylmethanone.

Molecular Properties

Compound Name(2,4-diaminopyrimidin-5-yl)-phenylmethanone
PubChem CID23423593
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name(2,4-diaminopyrimidin-5-yl)-phenylmethanone
SMILESNc1ncc(C(=O)c2ccccc2)c(N)n1
InChIInChI=1S/C11H10N4O/c12-10-8(6-14-11(13)15-10)9(16)7-4-2-1-3-5-7/h1-6H,(H4,12,13,14,15)
InChIKeyFBHIZGIRQLCTPL-UHFFFAOYSA-N
XLogP0.87
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,4-diaminopyrimidin-5-yl)-phenylmethanone?
The IUPAC name of (2,4-diaminopyrimidin-5-yl)-phenylmethanone (CID 23423593) is (2,4-diaminopyrimidin-5-yl)-phenylmethanone.
What is the SMILES notation for (2,4-diaminopyrimidin-5-yl)-phenylmethanone?
The canonical SMILES for (2,4-diaminopyrimidin-5-yl)-phenylmethanone is Nc1ncc(C(=O)c2ccccc2)c(N)n1.
What is the InChIKey of (2,4-diaminopyrimidin-5-yl)-phenylmethanone?
The InChIKey is FBHIZGIRQLCTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c12-10-8(6-14-11(13)15-10)9(16)7-4-2-1-3-5-7/h1-6H,(H4,12,13,14,15).
What are the key properties of (2,4-diaminopyrimidin-5-yl)-phenylmethanone?
(2,4-diaminopyrimidin-5-yl)-phenylmethanone has a molecular weight of 214.23 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-diaminopyrimidin-5-yl)-phenylmethanone is sourced from PubChem (CID 23423593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).