5-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]-4-methylpentanoic acid

C14H20ClN3O3 — CID 82009834

IUPAC5-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)c1nc(C(C)C)ncc1Cl
InChIInChI=1S/C14H20ClN3O3/c1-8(2)13-16-7-10(15)12(18-13)14(21)17-6-9(3)4-5-11(19)20/h7-9H,4-6H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyPMDGOSBFMHJPOD-UHFFFAOYSA-N
MW313.79 g/mol
LogP2.48
Rot. Bonds7

About 5-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]-4-methylpentanoic acid

5-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 82009834) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.79 g/mol. Its IUPAC name is 5-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]-4-methylpentanoic acid
PubChem CID82009834
Molecular FormulaC14H20ClN3O3
Molecular Weight313.79 g/mol
Exact Mass313.12
IUPAC Name5-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)c1nc(C(C)C)ncc1Cl
InChIInChI=1S/C14H20ClN3O3/c1-8(2)13-16-7-10(15)12(18-13)14(21)17-6-9(3)4-5-11(19)20/h7-9H,4-6H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyPMDGOSBFMHJPOD-UHFFFAOYSA-N
XLogP2.48
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 102904944
5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 103770528
3-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 119190217
N-(2-aminoethyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119382250
5-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 82683416
2-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]propanoic acid
CID 55032602
5-chloro-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 86858519
5-chloro-N-(5-hydroxypentyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 107317162
5-chloro-N-(2-methylsulfanylethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62020193
5-chloro-N-pentan-3-yl-2-propan-2-ylpyrimidine-4-carboxamide
CID 47459112
5-chloro-N-(4-methoxybutan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62721396
5-[(6-bromopyridine-2-carbonyl)amino]-4-methylpentanoic acid
CID 114037558

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 5-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]-4-methylpentanoic acid (CID 82009834) is 5-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 5-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]-4-methylpentanoic acid is CC(CCC(=O)O)CNC(=O)c1nc(C(C)C)ncc1Cl.
What is the InChIKey of 5-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is PMDGOSBFMHJPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O3/c1-8(2)13-16-7-10(15)12(18-13)14(21)17-6-9(3)4-5-11(19)20/h7-9H,4-6H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 5-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]-4-methylpentanoic acid?
5-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 313.79 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 82009834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).