2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]-methylamino]-N-cyclopropylacetamide

C11H16ClN5O — CID 80821198

IUPAC2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]-methylamino]-N-cyclopropylacetamide
SMILESCNc1ncc(Cl)c(N(C)CC(=O)NC2CC2)n1
InChIInChI=1S/C11H16ClN5O/c1-13-11-14-5-8(12)10(16-11)17(2)6-9(18)15-7-3-4-7/h5,7H,3-4,6H2,1-2H3,(H,15,18)(H,13,14,16)
InChIKeyMPVXNGUBMJJSPO-UHFFFAOYSA-N
MW269.74 g/mol
LogP0.89
Rot. Bonds5

About 2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]-methylamino]-N-cyclopropylacetamide

2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]-methylamino]-N-cyclopropylacetamide (PubChem CID 80821198) has the molecular formula C11H16ClN5O and a molecular weight of 269.74 g/mol. Its IUPAC name is 2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]-methylamino]-N-cyclopropylacetamide
PubChem CID80821198
Molecular FormulaC11H16ClN5O
Molecular Weight269.74 g/mol
Exact Mass269.10
IUPAC Name2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]-methylamino]-N-cyclopropylacetamide
SMILESCNc1ncc(Cl)c(N(C)CC(=O)NC2CC2)n1
InChIInChI=1S/C11H16ClN5O/c1-13-11-14-5-8(12)10(16-11)17(2)6-9(18)15-7-3-4-7/h5,7H,3-4,6H2,1-2H3,(H,15,18)(H,13,14,16)
InChIKeyMPVXNGUBMJJSPO-UHFFFAOYSA-N
XLogP0.89
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-chloro-5-methylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide
CID 63728145
2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-N-cyclopropylacetamide
CID 112698989
N-cyclopropyl-2-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide
CID 114564651
N-cyclopropyl-2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]acetamide
CID 80820491
5-chloro-2-N,4-N-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
CID 112667666
2-[(5-aminopyrimidin-2-yl)-methylamino]-N-cyclopropylacetamide
CID 61145458
2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide
CID 79555514
5-chloro-2-N,4-N-dimethyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine
CID 80829025
N-cyclopropyl-2-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-methylamino]acetamide
CID 114055994
2-[(3-chloro-6-methoxyquinolin-4-yl)-methylamino]-N-cyclopropylacetamide
CID 138052900
5-chloro-2-N,4-N-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 80799540
2-chloro-6-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]benzoic acid
CID 55002718

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]-methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]-methylamino]-N-cyclopropylacetamide (CID 80821198) is 2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]-methylamino]-N-cyclopropylacetamide is CNc1ncc(Cl)c(N(C)CC(=O)NC2CC2)n1.
What is the InChIKey of 2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]-methylamino]-N-cyclopropylacetamide?
The InChIKey is MPVXNGUBMJJSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5O/c1-13-11-14-5-8(12)10(16-11)17(2)6-9(18)15-7-3-4-7/h5,7H,3-4,6H2,1-2H3,(H,15,18)(H,13,14,16).
What are the key properties of 2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]-methylamino]-N-cyclopropylacetamide?
2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]-methylamino]-N-cyclopropylacetamide has a molecular weight of 269.74 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]-methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 80821198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).