(2S)-2-amino-4-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pentanamide

C16H28N6O — CID 119902328

IUPAC(2S)-2-amino-4-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H28N6O/c1-13(2)12-14(17)15(23)18-6-7-21-8-10-22(11-9-21)16-19-4-3-5-20-16/h3-5,13-14H,6-12,17H2,1-2H3,(H,18,23)/t14-/m0/s1
InChIKeyHLRXYWMVLPYLCL-AWEZNQCLSA-N
MW320.44 g/mol
LogP0.09
Rot. Bonds7

About (2S)-2-amino-4-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pentanamide

(2S)-2-amino-4-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pentanamide (PubChem CID 119902328) has the molecular formula C16H28N6O and a molecular weight of 320.44 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pentanamide
PubChem CID119902328
Molecular FormulaC16H28N6O
Molecular Weight320.44 g/mol
Exact Mass320.23
IUPAC Name(2S)-2-amino-4-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H28N6O/c1-13(2)12-14(17)15(23)18-6-7-21-8-10-22(11-9-21)16-19-4-3-5-20-16/h3-5,13-14H,6-12,17H2,1-2H3,(H,18,23)/t14-/m0/s1
InChIKeyHLRXYWMVLPYLCL-AWEZNQCLSA-N
XLogP0.09
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-amino-4-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide;dihydrochloride
CID 119834347
2-methyl-1-(3-methylbutyl)-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine
CID 110977851
(2S)-2-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-methylpentanamide;dihydrochloride
CID 119850141
1-propan-2-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide
CID 70710374
1-tert-butyl-5-propan-2-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrazole-3-carboxamide
CID 55930523
benzyl N-[(2S,3S)-3-methyl-1-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]pentan-2-yl]carbamate
CID 55940216
2-amino-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide;trihydrochloride
CID 119947504
3-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]imidazole-4-carboxamide
CID 118761818
3-piperidin-4-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide
CID 119902308
2-(methylamino)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide;hydrochloride
CID 120703590
1-(4-ethoxyphenyl)-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea
CID 47049542
N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine
CID 60853273

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pentanamide (CID 119902328) is (2S)-2-amino-4-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pentanamide is CC(C)C[C@H](N)C(=O)NCCN1CCN(c2ncccn2)CC1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pentanamide?
The InChIKey is HLRXYWMVLPYLCL-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H28N6O/c1-13(2)12-14(17)15(23)18-6-7-21-8-10-22(11-9-21)16-19-4-3-5-20-16/h3-5,13-14H,6-12,17H2,1-2H3,(H,18,23)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pentanamide?
(2S)-2-amino-4-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pentanamide has a molecular weight of 320.44 g/mol, XLogP of 0.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pentanamide is sourced from PubChem (CID 119902328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).