2-(ethylamino)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide

C14H24N6O — CID 63028337

IUPAC2-(ethylamino)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide
SMILESCCNC(CCN1CCN(c2ncccn2)CC1)C(N)=O
InChIInChI=1S/C14H24N6O/c1-2-16-12(13(15)21)4-7-19-8-10-20(11-9-19)14-17-5-3-6-18-14/h3,5-6,12,16H,2,4,7-11H2,1H3,(H2,15,21)
InChIKeyFYAIPVKCHZVCHZ-UHFFFAOYSA-N
MW292.39 g/mol
LogP-0.55
Rot. Bonds7

About 2-(ethylamino)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide

2-(ethylamino)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide (PubChem CID 63028337) has the molecular formula C14H24N6O and a molecular weight of 292.39 g/mol. Its IUPAC name is 2-(ethylamino)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide.

Molecular Properties

Compound Name2-(ethylamino)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide
PubChem CID63028337
Molecular FormulaC14H24N6O
Molecular Weight292.39 g/mol
Exact Mass292.20
IUPAC Name2-(ethylamino)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide
SMILESCCNC(CCN1CCN(c2ncccn2)CC1)C(N)=O
InChIInChI=1S/C14H24N6O/c1-2-16-12(13(15)21)4-7-19-8-10-20(11-9-19)14-17-5-3-6-18-14/h3,5-6,12,16H,2,4,7-11H2,1H3,(H2,15,21)
InChIKeyFYAIPVKCHZVCHZ-UHFFFAOYSA-N
XLogP-0.55
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 27104437
(2S)-2-amino-4-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pentanamide
CID 119902328
2-methoxy-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
CID 103152125
N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine
CID 60853273
5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid
CID 28972374
2-(4-pyrimidin-2-ylpiperazin-1-yl)acetohydrazide
CID 63569943
2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine;dihydrochloride
CID 46736988
2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-one
CID 43650100
3-(4-methylpiperazin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 110854951
2-acetamido-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 71157049
N,2-dimethyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]propanamide
CID 14622622
2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]pyrimidine
CID 102273193

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide?
The IUPAC name of 2-(ethylamino)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide (CID 63028337) is 2-(ethylamino)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide.
What is the SMILES notation for 2-(ethylamino)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide?
The canonical SMILES for 2-(ethylamino)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide is CCNC(CCN1CCN(c2ncccn2)CC1)C(N)=O.
What is the InChIKey of 2-(ethylamino)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide?
The InChIKey is FYAIPVKCHZVCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O/c1-2-16-12(13(15)21)4-7-19-8-10-20(11-9-19)14-17-5-3-6-18-14/h3,5-6,12,16H,2,4,7-11H2,1H3,(H2,15,21).
What are the key properties of 2-(ethylamino)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide?
2-(ethylamino)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide has a molecular weight of 292.39 g/mol, XLogP of -0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide is sourced from PubChem (CID 63028337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).