2-(2-aminopyrimidin-4-yl)-N-(6-fluorohex-5-en-3-yl)acetamide

C12H17FN4O — CID 123535457

IUPAC2-(2-aminopyrimidin-4-yl)-N-(6-fluorohex-5-en-3-yl)acetamide
SMILESCCC(CC=CF)NC(=O)Cc1ccnc(N)n1
InChIInChI=1S/C12H17FN4O/c1-2-9(4-3-6-13)16-11(18)8-10-5-7-15-12(14)17-10/h3,5-7,9H,2,4,8H2,1H3,(H,16,18)(H2,14,15,17)
InChIKeyZZBXEEVSVQVUSV-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.37
Rot. Bonds6

About 2-(2-aminopyrimidin-4-yl)-N-(6-fluorohex-5-en-3-yl)acetamide

2-(2-aminopyrimidin-4-yl)-N-(6-fluorohex-5-en-3-yl)acetamide (PubChem CID 123535457) has the molecular formula C12H17FN4O and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-4-yl)-N-(6-fluorohex-5-en-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-aminopyrimidin-4-yl)-N-(6-fluorohex-5-en-3-yl)acetamide
PubChem CID123535457
Molecular FormulaC12H17FN4O
Molecular Weight252.29 g/mol
Exact Mass252.14
IUPAC Name2-(2-aminopyrimidin-4-yl)-N-(6-fluorohex-5-en-3-yl)acetamide
SMILESCCC(CC=CF)NC(=O)Cc1ccnc(N)n1
InChIInChI=1S/C12H17FN4O/c1-2-9(4-3-6-13)16-11(18)8-10-5-7-15-12(14)17-10/h3,5-7,9H,2,4,8H2,1H3,(H,16,18)(H2,14,15,17)
InChIKeyZZBXEEVSVQVUSV-UHFFFAOYSA-N
XLogP1.37
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 118741253
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CID 118741437
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CID 136185556
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CID 115529931
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CID 3223400
CID 3223400
CID 53035320
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CID 67050464
CID 67050464

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopyrimidin-4-yl)-N-(6-fluorohex-5-en-3-yl)acetamide?
The IUPAC name of 2-(2-aminopyrimidin-4-yl)-N-(6-fluorohex-5-en-3-yl)acetamide (CID 123535457) is 2-(2-aminopyrimidin-4-yl)-N-(6-fluorohex-5-en-3-yl)acetamide.
What is the SMILES notation for 2-(2-aminopyrimidin-4-yl)-N-(6-fluorohex-5-en-3-yl)acetamide?
The canonical SMILES for 2-(2-aminopyrimidin-4-yl)-N-(6-fluorohex-5-en-3-yl)acetamide is CCC(CC=CF)NC(=O)Cc1ccnc(N)n1.
What is the InChIKey of 2-(2-aminopyrimidin-4-yl)-N-(6-fluorohex-5-en-3-yl)acetamide?
The InChIKey is ZZBXEEVSVQVUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4O/c1-2-9(4-3-6-13)16-11(18)8-10-5-7-15-12(14)17-10/h3,5-7,9H,2,4,8H2,1H3,(H,16,18)(H2,14,15,17).
What are the key properties of 2-(2-aminopyrimidin-4-yl)-N-(6-fluorohex-5-en-3-yl)acetamide?
2-(2-aminopyrimidin-4-yl)-N-(6-fluorohex-5-en-3-yl)acetamide has a molecular weight of 252.29 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopyrimidin-4-yl)-N-(6-fluorohex-5-en-3-yl)acetamide is sourced from PubChem (CID 123535457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).