2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide

C13H19ClN4O — CID 80971282

IUPAC2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
SMILESCc1c(Cl)nc(C2CC2)nc1NCC(=O)NC(C)C
InChIInChI=1S/C13H19ClN4O/c1-7(2)16-10(19)6-15-12-8(3)11(14)17-13(18-12)9-4-5-9/h7,9H,4-6H2,1-3H3,(H,16,19)(H,15,17,18)
InChIKeyKDMUIQCZYYOZMC-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.25
Rot. Bonds5

About 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide

2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide (PubChem CID 80971282) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
PubChem CID80971282
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Name2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
SMILESCc1c(Cl)nc(C2CC2)nc1NCC(=O)NC(C)C
InChIInChI=1S/C13H19ClN4O/c1-7(2)16-10(19)6-15-12-8(3)11(14)17-13(18-12)9-4-5-9/h7,9H,4-6H2,1-3H3,(H,16,19)(H,15,17,18)
InChIKeyKDMUIQCZYYOZMC-UHFFFAOYSA-N
XLogP2.25
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]acetate
CID 80970316
2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 80971413
3-[2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83112926
6-chloro-2-cyclopropyl-5-methyl-N-prop-2-ynylpyrimidin-4-amine
CID 106194712
3-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol
CID 80978642
2-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]phenol
CID 106196538
6-chloro-2-cyclopropyl-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 80971665
6-chloro-2-cyclopropyl-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
CID 80971290
6-chloro-2-cyclopropyl-5-methyl-N-(2-methylpentan-2-yl)pyrimidin-4-amine
CID 113471962
6-chloro-2-cyclopropyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 80970322
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
CID 80793358
6-chloro-2-cyclopropyl-5-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 80974160

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide (CID 80971282) is 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide is Cc1c(Cl)nc(C2CC2)nc1NCC(=O)NC(C)C.
What is the InChIKey of 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide?
The InChIKey is KDMUIQCZYYOZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c1-7(2)16-10(19)6-15-12-8(3)11(14)17-13(18-12)9-4-5-9/h7,9H,4-6H2,1-3H3,(H,16,19)(H,15,17,18).
What are the key properties of 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide?
2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide has a molecular weight of 282.77 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 80971282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).