2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-N-cyclopropylpropanamide

C13H19ClN4O — CID 113408057

IUPAC2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-N-cyclopropylpropanamide
SMILESCC(Nc1ncnc(Cl)c1C(C)C)C(=O)NC1CC1
InChIInChI=1S/C13H19ClN4O/c1-7(2)10-11(14)15-6-16-12(10)17-8(3)13(19)18-9-4-5-9/h6-9H,4-5H2,1-3H3,(H,18,19)(H,15,16,17)
InChIKeyNJMDSYIXKZGABJ-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.33
Rot. Bonds5

About 2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-N-cyclopropylpropanamide

2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-N-cyclopropylpropanamide (PubChem CID 113408057) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-N-cyclopropylpropanamide
PubChem CID113408057
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Name2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-N-cyclopropylpropanamide
SMILESCC(Nc1ncnc(Cl)c1C(C)C)C(=O)NC1CC1
InChIInChI=1S/C13H19ClN4O/c1-7(2)10-11(14)15-6-16-12(10)17-8(3)13(19)18-9-4-5-9/h6-9H,4-5H2,1-3H3,(H,18,19)(H,15,16,17)
InChIKeyNJMDSYIXKZGABJ-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(4-methylcycloheptyl)-5-propan-2-ylpyrimidin-4-amine
CID 114101538
2-[(6-chloro-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide
CID 63730144
2-[(6-bromoquinazolin-4-yl)amino]-N-cyclopentylpropanamide
CID 175431192
2-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 64911092
N-cyclopropyl-2-(4-methylanilino)propanamide
CID 43085895
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-cyclopropylpropanamide
CID 137016632
6-chloro-N-(oxolan-3-ylmethyl)-5-propan-2-ylpyrimidin-4-amine
CID 55229705
6-chloro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-5-propan-2-ylpyrimidin-4-amine
CID 106193279
methyl 3-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]propanoate
CID 55229687
2-(2-chloro-4-methylanilino)-N-cyclopropylpropanamide
CID 43083917
2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol
CID 106192405
6-chloro-N-[1-(furan-2-yl)ethyl]-5-propan-2-ylpyrimidin-4-amine
CID 63728421

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-N-cyclopropylpropanamide?
The IUPAC name of 2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-N-cyclopropylpropanamide (CID 113408057) is 2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-N-cyclopropylpropanamide is CC(Nc1ncnc(Cl)c1C(C)C)C(=O)NC1CC1.
What is the InChIKey of 2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-N-cyclopropylpropanamide?
The InChIKey is NJMDSYIXKZGABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c1-7(2)10-11(14)15-6-16-12(10)17-8(3)13(19)18-9-4-5-9/h6-9H,4-5H2,1-3H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-N-cyclopropylpropanamide?
2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-N-cyclopropylpropanamide has a molecular weight of 282.77 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-N-cyclopropylpropanamide is sourced from PubChem (CID 113408057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).