3-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide

C12H19ClN4O — CID 63730180

IUPAC3-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
SMILESCC(C)c1c(Cl)ncnc1NCCC(=O)N(C)C
InChIInChI=1S/C12H19ClN4O/c1-8(2)10-11(13)15-7-16-12(10)14-6-5-9(18)17(3)4/h7-8H,5-6H2,1-4H3,(H,14,15,16)
InChIKeyBQEKZOWVDNITAS-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.14
Rot. Bonds5

About 3-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide

3-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide (PubChem CID 63730180) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 3-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
PubChem CID63730180
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name3-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
SMILESCC(C)c1c(Cl)ncnc1NCCC(=O)N(C)C
InChIInChI=1S/C12H19ClN4O/c1-8(2)10-11(13)15-7-16-12(10)14-6-5-9(18)17(3)4/h7-8H,5-6H2,1-4H3,(H,14,15,16)
InChIKeyBQEKZOWVDNITAS-UHFFFAOYSA-N
XLogP2.14
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide (CID 63730180) is 3-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide is CC(C)c1c(Cl)ncnc1NCCC(=O)N(C)C.
What is the InChIKey of 3-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
The InChIKey is BQEKZOWVDNITAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-8(2)10-11(13)15-7-16-12(10)14-6-5-9(18)17(3)4/h7-8H,5-6H2,1-4H3,(H,14,15,16).
What are the key properties of 3-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
3-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide has a molecular weight of 270.76 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 63730180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).