N-[(2S)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide

C17H27N5O2 — CID 31669174

IUPACN-[(2S)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)C(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1
InChIInChI=1S/C17H27N5O2/c1-11(2)16-18-12(3)10-15(20-16)21-6-8-22(9-7-21)17(24)13(4)19-14(5)23/h10-11,13H,6-9H2,1-5H3,(H,19,23)/t13-/m0/s1
InChIKeyNUFZOFUHAIOTKS-ZDUSSCGKSA-N
MW333.44 g/mol
LogP1.08
Rot. Bonds4

About N-[(2S)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide

N-[(2S)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide (PubChem CID 31669174) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[(2S)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide
PubChem CID31669174
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC NameN-[(2S)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)C(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1
InChIInChI=1S/C17H27N5O2/c1-11(2)16-18-12(3)10-15(20-16)21-6-8-22(9-7-21)17(24)13(4)19-14(5)23/h10-11,13H,6-9H2,1-5H3,(H,19,23)/t13-/m0/s1
InChIKeyNUFZOFUHAIOTKS-ZDUSSCGKSA-N
XLogP1.08
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 51077127
N-[(1R)-1-(4-chlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 26953818
2-amino-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119837028
(2,2-dichloro-1-methylcyclopropyl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 17404159
3-hydroxy-3-methyl-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]butan-1-one
CID 154839417
1-(4-methylpiperidin-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 17452594
2-(2,4-dichlorophenoxy)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 18277916
1-[4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 80947995
(4-chlorophenyl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 18287876
N-carbamoyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 46631339
(4-amino-2-methylpyrimidin-5-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 146090926
4-(methylamino)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119837026

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide (CID 31669174) is N-[(2S)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide is CC(=O)N[C@@H](C)C(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1.
What is the InChIKey of N-[(2S)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide?
The InChIKey is NUFZOFUHAIOTKS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-11(2)16-18-12(3)10-15(20-16)21-6-8-22(9-7-21)17(24)13(4)19-14(5)23/h10-11,13H,6-9H2,1-5H3,(H,19,23)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide?
N-[(2S)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide has a molecular weight of 333.44 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 31669174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).