2-[(5-chloropyrimidin-2-yl)amino]-N-cyclohexylacetamide

C12H17ClN4O — CID 136512352

IUPAC2-[(5-chloropyrimidin-2-yl)amino]-N-cyclohexylacetamide
SMILESO=C(CNc1ncc(Cl)cn1)NC1CCCCC1
InChIInChI=1S/C12H17ClN4O/c13-9-6-14-12(15-7-9)16-8-11(18)17-10-4-2-1-3-5-10/h6-7,10H,1-5,8H2,(H,17,18)(H,14,15,16)
InChIKeyYVJKKRDBNAQOKR-UHFFFAOYSA-N
MW268.75 g/mol
LogP1.99
Rot. Bonds4

About 2-[(5-chloropyrimidin-2-yl)amino]-N-cyclohexylacetamide

2-[(5-chloropyrimidin-2-yl)amino]-N-cyclohexylacetamide (PubChem CID 136512352) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is 2-[(5-chloropyrimidin-2-yl)amino]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[(5-chloropyrimidin-2-yl)amino]-N-cyclohexylacetamide
PubChem CID136512352
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name2-[(5-chloropyrimidin-2-yl)amino]-N-cyclohexylacetamide
SMILESO=C(CNc1ncc(Cl)cn1)NC1CCCCC1
InChIInChI=1S/C12H17ClN4O/c13-9-6-14-12(15-7-9)16-8-11(18)17-10-4-2-1-3-5-10/h6-7,10H,1-5,8H2,(H,17,18)(H,14,15,16)
InChIKeyYVJKKRDBNAQOKR-UHFFFAOYSA-N
XLogP1.99
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloropyrimidin-2-yl)amino]-N-cyclohexylacetamide?
The IUPAC name of 2-[(5-chloropyrimidin-2-yl)amino]-N-cyclohexylacetamide (CID 136512352) is 2-[(5-chloropyrimidin-2-yl)amino]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[(5-chloropyrimidin-2-yl)amino]-N-cyclohexylacetamide?
The canonical SMILES for 2-[(5-chloropyrimidin-2-yl)amino]-N-cyclohexylacetamide is O=C(CNc1ncc(Cl)cn1)NC1CCCCC1.
What is the InChIKey of 2-[(5-chloropyrimidin-2-yl)amino]-N-cyclohexylacetamide?
The InChIKey is YVJKKRDBNAQOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c13-9-6-14-12(15-7-9)16-8-11(18)17-10-4-2-1-3-5-10/h6-7,10H,1-5,8H2,(H,17,18)(H,14,15,16).
What are the key properties of 2-[(5-chloropyrimidin-2-yl)amino]-N-cyclohexylacetamide?
2-[(5-chloropyrimidin-2-yl)amino]-N-cyclohexylacetamide has a molecular weight of 268.75 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloropyrimidin-2-yl)amino]-N-cyclohexylacetamide is sourced from PubChem (CID 136512352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).