2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]acetamide

C10H13ClN4O — CID 80954139

IUPAC2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]acetamide
SMILESCN(CC(N)=O)c1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C10H13ClN4O/c1-15(5-8(12)16)9-4-7(11)13-10(14-9)6-2-3-6/h4,6H,2-3,5H2,1H3,(H2,12,16)
InChIKeyOTLHPXSSTPDBTR-UHFFFAOYSA-N
MW240.69 g/mol
LogP0.93
Rot. Bonds4

About 2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]acetamide

2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]acetamide (PubChem CID 80954139) has the molecular formula C10H13ClN4O and a molecular weight of 240.69 g/mol. Its IUPAC name is 2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]acetamide.

Molecular Properties

Compound Name2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]acetamide
PubChem CID80954139
Molecular FormulaC10H13ClN4O
Molecular Weight240.69 g/mol
Exact Mass240.08
IUPAC Name2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]acetamide
SMILESCN(CC(N)=O)c1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C10H13ClN4O/c1-15(5-8(12)16)9-4-7(11)13-10(14-9)6-2-3-6/h4,6H,2-3,5H2,1H3,(H2,12,16)
InChIKeyOTLHPXSSTPDBTR-UHFFFAOYSA-N
XLogP0.93
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]propan-2-ol
CID 80951707
6-chloro-2-cyclopropyl-N-(cyclopropylmethyl)-N-methylpyrimidin-4-amine
CID 80953708
1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 80951237
1-[[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
CID 113344471
6-chloro-2-cyclopropyl-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine
CID 80953931
6-chloro-2-cyclopropyl-N-[[4-(dimethylamino)phenyl]methyl]-N-methylpyrimidin-4-amine
CID 133416487
6-chloro-2-cyclopropyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 80951503
2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide
CID 80967047
6-chloro-2-cyclopropyl-N-methyl-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 80953491
2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 80960605
6-chloro-2-cyclopropyl-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 80951090
6-chloro-2-cyclopropyl-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80953768

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]acetamide?
The IUPAC name of 2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]acetamide (CID 80954139) is 2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]acetamide.
What is the SMILES notation for 2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]acetamide?
The canonical SMILES for 2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]acetamide is CN(CC(N)=O)c1cc(Cl)nc(C2CC2)n1.
What is the InChIKey of 2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]acetamide?
The InChIKey is OTLHPXSSTPDBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O/c1-15(5-8(12)16)9-4-7(11)13-10(14-9)6-2-3-6/h4,6H,2-3,5H2,1H3,(H2,12,16).
What are the key properties of 2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]acetamide?
2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]acetamide has a molecular weight of 240.69 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]acetamide is sourced from PubChem (CID 80954139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).