2-[(6-chloro-5-propylpyrimidin-4-yl)amino]-2,3-dimethylbutanamide

C13H21ClN4O — CID 112738372

IUPAC2-[(6-chloro-5-propylpyrimidin-4-yl)amino]-2,3-dimethylbutanamide
SMILESCCCc1c(Cl)ncnc1NC(C)(C(N)=O)C(C)C
InChIInChI=1S/C13H21ClN4O/c1-5-6-9-10(14)16-7-17-11(9)18-13(4,8(2)3)12(15)19/h7-8H,5-6H2,1-4H3,(H2,15,19)(H,16,17,18)
InChIKeyQXRGVINLVDUZJQ-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.39
Rot. Bonds6

About 2-[(6-chloro-5-propylpyrimidin-4-yl)amino]-2,3-dimethylbutanamide

2-[(6-chloro-5-propylpyrimidin-4-yl)amino]-2,3-dimethylbutanamide (PubChem CID 112738372) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-[(6-chloro-5-propylpyrimidin-4-yl)amino]-2,3-dimethylbutanamide.

Molecular Properties

Compound Name2-[(6-chloro-5-propylpyrimidin-4-yl)amino]-2,3-dimethylbutanamide
PubChem CID112738372
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name2-[(6-chloro-5-propylpyrimidin-4-yl)amino]-2,3-dimethylbutanamide
SMILESCCCc1c(Cl)ncnc1NC(C)(C(N)=O)C(C)C
InChIInChI=1S/C13H21ClN4O/c1-5-6-9-10(14)16-7-17-11(9)18-13(4,8(2)3)12(15)19/h7-8H,5-6H2,1-4H3,(H2,15,19)(H,16,17,18)
InChIKeyQXRGVINLVDUZJQ-UHFFFAOYSA-N
XLogP2.39
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-chloro-5-propylpyrimidin-4-yl)amino]acetamide
CID 63736500
2-[(6-chloro-5-propylpyrimidin-4-yl)amino]ethanol
CID 63736464
3-[(6-amino-5-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 114167772
3-[(6-chloro-5-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106352639
N-(6-chloro-5-propylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 63734589
6-chloro-5-propyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
CID 113327992
N-(4-tert-butylphenyl)-6-chloro-5-propylpyrimidin-4-amine
CID 63733908
6-chloro-N-(2-ethoxyethyl)-5-propylpyrimidin-4-amine
CID 63730290
3-[(5-amino-6-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 106275058
methyl 2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80802366
6-chloro-N-(3-methylsulfanylpropyl)-5-propylpyrimidin-4-amine
CID 63959272
2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea
CID 83117732

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-5-propylpyrimidin-4-yl)amino]-2,3-dimethylbutanamide?
The IUPAC name of 2-[(6-chloro-5-propylpyrimidin-4-yl)amino]-2,3-dimethylbutanamide (CID 112738372) is 2-[(6-chloro-5-propylpyrimidin-4-yl)amino]-2,3-dimethylbutanamide.
What is the SMILES notation for 2-[(6-chloro-5-propylpyrimidin-4-yl)amino]-2,3-dimethylbutanamide?
The canonical SMILES for 2-[(6-chloro-5-propylpyrimidin-4-yl)amino]-2,3-dimethylbutanamide is CCCc1c(Cl)ncnc1NC(C)(C(N)=O)C(C)C.
What is the InChIKey of 2-[(6-chloro-5-propylpyrimidin-4-yl)amino]-2,3-dimethylbutanamide?
The InChIKey is QXRGVINLVDUZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-5-6-9-10(14)16-7-17-11(9)18-13(4,8(2)3)12(15)19/h7-8H,5-6H2,1-4H3,(H2,15,19)(H,16,17,18).
What are the key properties of 2-[(6-chloro-5-propylpyrimidin-4-yl)amino]-2,3-dimethylbutanamide?
2-[(6-chloro-5-propylpyrimidin-4-yl)amino]-2,3-dimethylbutanamide has a molecular weight of 284.79 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-5-propylpyrimidin-4-yl)amino]-2,3-dimethylbutanamide is sourced from PubChem (CID 112738372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).