N-(2-methylpropyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine

C16H29N5 — CID 62425688

IUPACN-(2-methylpropyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
SMILESCCC(CNCC(C)C)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H29N5/c1-4-15(13-17-12-14(2)3)20-8-10-21(11-9-20)16-18-6-5-7-19-16/h5-7,14-15,17H,4,8-13H2,1-3H3
InChIKeyTWACQTUQONXVSH-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.62
Rot. Bonds7

About N-(2-methylpropyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine

N-(2-methylpropyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine (PubChem CID 62425688) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
PubChem CID62425688
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC NameN-(2-methylpropyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
SMILESCCC(CNCC(C)C)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H29N5/c1-4-15(13-17-12-14(2)3)20-8-10-21(11-9-20)16-18-6-5-7-19-16/h5-7,14-15,17H,4,8-13H2,1-3H3
InChIKeyTWACQTUQONXVSH-UHFFFAOYSA-N
XLogP1.62
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine
CID 43367610
N-(2-methylpropyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
CID 62425336
2-(azepan-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 62437423
N'-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)pentanimidamide
CID 43175017
N-propyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
CID 62425155
1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
CID 21279253
3-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine
CID 43312455
N-butan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112940719
N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
CID 55070322
N-ethyl-2-(4-phenylpiperazin-1-yl)butan-1-amine
CID 62423101
N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
CID 62425156
2-(4-butan-2-ylpiperidin-1-yl)pyrimidine
CID 145314724

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine?
The IUPAC name of N-(2-methylpropyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine (CID 62425688) is N-(2-methylpropyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine is CCC(CNCC(C)C)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-(2-methylpropyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine?
The InChIKey is TWACQTUQONXVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-4-15(13-17-12-14(2)3)20-8-10-21(11-9-20)16-18-6-5-7-19-16/h5-7,14-15,17H,4,8-13H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine?
N-(2-methylpropyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine is sourced from PubChem (CID 62425688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).