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

C16H29N5 — CID 62425336

IUPACN-(2-methylpropyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
SMILESCC(C)CNCCC(C)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H29N5/c1-14(2)13-17-8-5-15(3)20-9-11-21(12-10-20)16-18-6-4-7-19-16/h4,6-7,14-15,17H,5,8-13H2,1-3H3
InChIKeyBNSBGHNOJGADEZ-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.62
Rot. Bonds7

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

N-(2-methylpropyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine (PubChem CID 62425336) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
PubChem CID62425336
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC NameN-(2-methylpropyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
SMILESCC(C)CNCCC(C)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H29N5/c1-14(2)13-17-8-5-15(3)20-9-11-21(12-10-20)16-18-6-4-7-19-16/h4,6-7,14-15,17H,5,8-13H2,1-3H3
InChIKeyBNSBGHNOJGADEZ-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

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
CID 62425155
N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
CID 55070322
N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
CID 62425156
N-(2-methylpropyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
CID 62425688
methyl 3-(4-pyrimidin-2-ylpiperazin-1-yl)butanoate
CID 43537360
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-methylpropyl)butan-1-amine
CID 64579463
1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
CID 21279253
3-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine
CID 43367610
N,N-dimethyl-1-[4-(2-methylpropylamino)butan-2-yl]piperidin-4-amine
CID 62432465
N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111207593
N-(2-methylpropyl)-4-thiomorpholin-4-ylpentan-1-amine
CID 62417518
3-(7,7-dimethyl-1,4-thiazepan-4-yl)-N-(2-methylpropyl)butan-1-amine
CID 107456361

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine?
The IUPAC name of N-(2-methylpropyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine (CID 62425336) is N-(2-methylpropyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine is CC(C)CNCCC(C)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-(2-methylpropyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine?
The InChIKey is BNSBGHNOJGADEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-14(2)13-17-8-5-15(3)20-9-11-21(12-10-20)16-18-6-4-7-19-16/h4,6-7,14-15,17H,5,8-13H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine?
N-(2-methylpropyl)-3-(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)-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine is sourced from PubChem (CID 62425336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).