2-(methylamino)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide;hydrochloride

C14H25ClN6O — CID 120703590

IUPAC2-(methylamino)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide;hydrochloride
SMILESCNCC(=O)NCCCN1CCN(c2ncccn2)CC1.Cl
InChIInChI=1S/C14H24N6O.ClH/c1-15-12-13(21)16-6-3-7-19-8-10-20(11-9-19)14-17-4-2-5-18-14;/h2,4-5,15H,3,6-12H2,1H3,(H,16,21);1H
InChIKeyIXHYKGKEMBMOKK-UHFFFAOYSA-N
MW328.85 g/mol
LogP-0.25
Rot. Bonds7

About 2-(methylamino)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide;hydrochloride

2-(methylamino)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide;hydrochloride (PubChem CID 120703590) has the molecular formula C14H25ClN6O and a molecular weight of 328.85 g/mol. Its IUPAC name is 2-(methylamino)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide;hydrochloride
PubChem CID120703590
Molecular FormulaC14H25ClN6O
Molecular Weight328.85 g/mol
Exact Mass328.18
IUPAC Name2-(methylamino)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide;hydrochloride
SMILESCNCC(=O)NCCCN1CCN(c2ncccn2)CC1.Cl
InChIInChI=1S/C14H24N6O.ClH/c1-15-12-13(21)16-6-3-7-19-8-10-20(11-9-19)14-17-4-2-5-18-14;/h2,4-5,15H,3,6-12H2,1H3,(H,16,21);1H
InChIKeyIXHYKGKEMBMOKK-UHFFFAOYSA-N
XLogP-0.25
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.85
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide;trihydrochloride
CID 119901328
3-cyclopentyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide
CID 39539501
2-(4-acetamidophenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 31413720
2-(4-methylphenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 39539907
tert-butyl N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]carbamate
CID 164715475
2-(methylamino)-N-(3-piperidin-1-ylpropyl)acetamide
CID 43362949
4-tert-butyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 39539439
2-(4-fluorophenyl)sulfanyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 39540021
2-(4-fluorophenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 39540125
4-(4-ethylphenyl)-4-oxo-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]butanamide
CID 39539883
N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]methanesulfonamide
CID 13318066
5-methyl-N-[2-oxo-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]ethyl]thiophene-2-carboxamide
CID 55933830

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide;hydrochloride?
The IUPAC name of 2-(methylamino)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide;hydrochloride (CID 120703590) is 2-(methylamino)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(methylamino)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide;hydrochloride?
The canonical SMILES for 2-(methylamino)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide;hydrochloride is CNCC(=O)NCCCN1CCN(c2ncccn2)CC1.Cl.
What is the InChIKey of 2-(methylamino)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide;hydrochloride?
The InChIKey is IXHYKGKEMBMOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O.ClH/c1-15-12-13(21)16-6-3-7-19-8-10-20(11-9-19)14-17-4-2-5-18-14;/h2,4-5,15H,3,6-12H2,1H3,(H,16,21);1H.
What are the key properties of 2-(methylamino)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide;hydrochloride?
2-(methylamino)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide;hydrochloride has a molecular weight of 328.85 g/mol, XLogP of -0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide;hydrochloride is sourced from PubChem (CID 120703590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).