N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine

C15H27N5 — CID 62425156

IUPACN-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
SMILESCC(C)NCCC(C)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H27N5/c1-13(2)16-8-5-14(3)19-9-11-20(12-10-19)15-17-6-4-7-18-15/h4,6-7,13-14,16H,5,8-12H2,1-3H3
InChIKeyJVPWXJUTHQYBOT-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.38
Rot. Bonds6

About N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine

N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine (PubChem CID 62425156) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
PubChem CID62425156
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC NameN-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
SMILESCC(C)NCCC(C)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H27N5/c1-13(2)16-8-5-14(3)19-9-11-20(12-10-19)15-17-6-4-7-18-15/h4,6-7,13-14,16H,5,8-12H2,1-3H3
InChIKeyJVPWXJUTHQYBOT-UHFFFAOYSA-N
XLogP1.38
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
CID 55070322
N-propyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
CID 62425155
N-(2-methylpropyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
CID 62425336
3-(4-phenylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine
CID 62425822
N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine
CID 60853273
3-(azocan-1-yl)-N-propan-2-ylbutan-1-amine
CID 62418445
methyl 3-(4-pyrimidin-2-ylpiperazin-1-yl)butanoate
CID 43537360
1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
CID 21279253
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylbutan-1-amine
CID 64580237
N-(2-methylpropyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
CID 62425688
3-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine
CID 43367610
3-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine
CID 43312455

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine?
The IUPAC name of N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine (CID 62425156) is N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine.
What is the SMILES notation for N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine?
The canonical SMILES for N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine is CC(C)NCCC(C)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine?
The InChIKey is JVPWXJUTHQYBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-13(2)16-8-5-14(3)19-9-11-20(12-10-19)15-17-6-4-7-18-15/h4,6-7,13-14,16H,5,8-12H2,1-3H3.
What are the key properties of N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine?
N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine has a molecular weight of 277.42 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine is sourced from PubChem (CID 62425156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).