2-[(2-amino-5-formyl-6-methylpyrimidin-4-yl)amino]-N-[3-(fluoromethyl)phenyl]acetamide

C15H16FN5O2 — CID 89021618

IUPAC2-[(2-amino-5-formyl-6-methylpyrimidin-4-yl)amino]-N-[3-(fluoromethyl)phenyl]acetamide
SMILESCc1nc(N)nc(NCC(=O)Nc2cccc(CF)c2)c1C=O
InChIInChI=1S/C15H16FN5O2/c1-9-12(8-22)14(21-15(17)19-9)18-7-13(23)20-11-4-2-3-10(5-11)6-16/h2-5,8H,6-7H2,1H3,(H,20,23)(H3,17,18,19,21)
InChIKeyRNQGHWRNRNUMRS-UHFFFAOYSA-N
MW317.32 g/mol
LogP1.70
Rot. Bonds6

About 2-[(2-amino-5-formyl-6-methylpyrimidin-4-yl)amino]-N-[3-(fluoromethyl)phenyl]acetamide

2-[(2-amino-5-formyl-6-methylpyrimidin-4-yl)amino]-N-[3-(fluoromethyl)phenyl]acetamide (PubChem CID 89021618) has the molecular formula C15H16FN5O2 and a molecular weight of 317.32 g/mol. Its IUPAC name is 2-[(2-amino-5-formyl-6-methylpyrimidin-4-yl)amino]-N-[3-(fluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(2-amino-5-formyl-6-methylpyrimidin-4-yl)amino]-N-[3-(fluoromethyl)phenyl]acetamide
PubChem CID89021618
Molecular FormulaC15H16FN5O2
Molecular Weight317.32 g/mol
Exact Mass317.13
IUPAC Name2-[(2-amino-5-formyl-6-methylpyrimidin-4-yl)amino]-N-[3-(fluoromethyl)phenyl]acetamide
SMILESCc1nc(N)nc(NCC(=O)Nc2cccc(CF)c2)c1C=O
InChIInChI=1S/C15H16FN5O2/c1-9-12(8-22)14(21-15(17)19-9)18-7-13(23)20-11-4-2-3-10(5-11)6-16/h2-5,8H,6-7H2,1H3,(H,20,23)(H3,17,18,19,21)
InChIKeyRNQGHWRNRNUMRS-UHFFFAOYSA-N
XLogP1.70
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-[3-(fluoromethyl)phenyl]acetamide
CID 70841450
2-[(2-amino-5-methanimidoyl-6-methylsulfanylpyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide;ethane
CID 143041871
2-(3,4-difluoroanilino)-N-(3-ethylphenyl)acetamide
CID 112799800
1-[3-(fluoromethyl)phenyl]-3-prop-2-ynylurea
CID 122467421
1-[(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)-methylamino]-3-[3-(fluoromethyl)phenyl]-1-methylurea
CID 70804039
(2R)-2-amino-N-[2-(3-ethylanilino)-2-oxoethyl]propanamide
CID 119312061
2-[[3-(fluoromethyl)phenyl]carbamoylamino]ethyl acetate
CID 90254396
1-[(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)-methylamino]-3-[3-(fluoromethyl)phenyl]urea
CID 70804076
2-[2-amino-6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide;2-[2-amino-5-formyl-6-(methylamino)pyrimidin-4-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide;3-methylpentane
CID 143041864
3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide
CID 54842495
4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide
CID 119312070
2-amino-N-[2-[3-[(4-methylphenyl)methyl]anilino]-2-oxoethyl]acetamide
CID 166762755

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-formyl-6-methylpyrimidin-4-yl)amino]-N-[3-(fluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(2-amino-5-formyl-6-methylpyrimidin-4-yl)amino]-N-[3-(fluoromethyl)phenyl]acetamide (CID 89021618) is 2-[(2-amino-5-formyl-6-methylpyrimidin-4-yl)amino]-N-[3-(fluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(2-amino-5-formyl-6-methylpyrimidin-4-yl)amino]-N-[3-(fluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(2-amino-5-formyl-6-methylpyrimidin-4-yl)amino]-N-[3-(fluoromethyl)phenyl]acetamide is Cc1nc(N)nc(NCC(=O)Nc2cccc(CF)c2)c1C=O.
What is the InChIKey of 2-[(2-amino-5-formyl-6-methylpyrimidin-4-yl)amino]-N-[3-(fluoromethyl)phenyl]acetamide?
The InChIKey is RNQGHWRNRNUMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O2/c1-9-12(8-22)14(21-15(17)19-9)18-7-13(23)20-11-4-2-3-10(5-11)6-16/h2-5,8H,6-7H2,1H3,(H,20,23)(H3,17,18,19,21).
What are the key properties of 2-[(2-amino-5-formyl-6-methylpyrimidin-4-yl)amino]-N-[3-(fluoromethyl)phenyl]acetamide?
2-[(2-amino-5-formyl-6-methylpyrimidin-4-yl)amino]-N-[3-(fluoromethyl)phenyl]acetamide has a molecular weight of 317.32 g/mol, XLogP of 1.70, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-formyl-6-methylpyrimidin-4-yl)amino]-N-[3-(fluoromethyl)phenyl]acetamide is sourced from PubChem (CID 89021618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).