N-carbamoyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide

C16H26N6O2 — CID 46631339

IUPACN-carbamoyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
SMILESCc1cc(N2CCN(C(C)C(=O)NC(N)=O)CC2)nc(C(C)C)n1
InChIInChI=1S/C16H26N6O2/c1-10(2)14-18-11(3)9-13(19-14)22-7-5-21(6-8-22)12(4)15(23)20-16(17)24/h9-10,12H,5-8H2,1-4H3,(H3,17,20,23,24)
InChIKeyLIUJFCJUBZNYCX-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.61
Rot. Bonds4

About N-carbamoyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide

N-carbamoyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide (PubChem CID 46631339) has the molecular formula C16H26N6O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-carbamoyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
PubChem CID46631339
Molecular FormulaC16H26N6O2
Molecular Weight334.42 g/mol
Exact Mass334.21
IUPAC NameN-carbamoyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
SMILESCc1cc(N2CCN(C(C)C(=O)NC(N)=O)CC2)nc(C(C)C)n1
InChIInChI=1S/C16H26N6O2/c1-10(2)14-18-11(3)9-13(19-14)22-7-5-21(6-8-22)12(4)15(23)20-16(17)24/h9-10,12H,5-8H2,1-4H3,(H3,17,20,23,24)
InChIKeyLIUJFCJUBZNYCX-UHFFFAOYSA-N
XLogP0.61
TPSA104.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[(4-methylphenyl)methyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 25487651
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 42895887
1-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanoyl]piperidine-4-carboxamide
CID 51112532
(2R)-N-(3-bromophenyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 25477477
1-(4-methylpiperidin-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 17452594
1-(2,3-dihydroindol-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 18094610
N-[(2S)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 31669174
N-tert-butyl-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 86868244
2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(4-phenylmethoxyphenyl)propanamide
CID 46631297
N-(4-methoxy-2-nitrophenyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 46631289
methyl (2S)-2-(2-chlorophenyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetate
CID 33403930
N-carbamoyl-2-[4-(2,6-dimethylphenyl)piperazin-1-yl]propanamide
CID 110190883

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide?
The IUPAC name of N-carbamoyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide (CID 46631339) is N-carbamoyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-carbamoyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide?
The canonical SMILES for N-carbamoyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide is Cc1cc(N2CCN(C(C)C(=O)NC(N)=O)CC2)nc(C(C)C)n1.
What is the InChIKey of N-carbamoyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide?
The InChIKey is LIUJFCJUBZNYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O2/c1-10(2)14-18-11(3)9-13(19-14)22-7-5-21(6-8-22)12(4)15(23)20-16(17)24/h9-10,12H,5-8H2,1-4H3,(H3,17,20,23,24).
What are the key properties of N-carbamoyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide?
N-carbamoyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide has a molecular weight of 334.42 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 46631339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).