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

C14H25N5 — CID 60853273

IUPACN-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine
SMILESCC(C)NCCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H25N5/c1-13(2)15-7-4-8-18-9-11-19(12-10-18)14-16-5-3-6-17-14/h3,5-6,13,15H,4,7-12H2,1-2H3
InChIKeyLIJAVJSUGJRYCH-UHFFFAOYSA-N
MW263.39 g/mol
LogP0.99
Rot. Bonds6

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

N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine (PubChem CID 60853273) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine
PubChem CID60853273
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC NameN-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine
SMILESCC(C)NCCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H25N5/c1-13(2)15-7-4-8-18-9-11-19(12-10-18)14-16-5-3-6-17-14/h3,5-6,13,15H,4,7-12H2,1-2H3
InChIKeyLIJAVJSUGJRYCH-UHFFFAOYSA-N
XLogP0.99
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 50.99
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

3-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[(1R)-1-quinolin-2-ylethyl]propan-1-amine
CID 97321769
N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
CID 62425156
N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]methanesulfonamide
CID 13318066
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-sulfonamide
CID 37302509
2-methyl-1-(5-methylhexyl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine
CID 111580346
2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]pyrimidine
CID 102273193
2-[4-(3-methoxypropyl)piperazin-1-yl]pyrimidine
CID 171069544
2-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]propan-2-amine
CID 55070558
(3R)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]spiro[3.4]octan-3-amine
CID 99827051
2-(methylamino)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide;hydrochloride
CID 120703590
N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopentanamine
CID 60849987
N,2-dimethyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]propanamide
CID 14622622

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine?
The IUPAC name of N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine (CID 60853273) is N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine is CC(C)NCCCN1CCN(c2ncccn2)CC1.
What is the InChIKey of N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine?
The InChIKey is LIJAVJSUGJRYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-13(2)15-7-4-8-18-9-11-19(12-10-18)14-16-5-3-6-17-14/h3,5-6,13,15H,4,7-12H2,1-2H3.
What are the key properties of N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine?
N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine has a molecular weight of 263.39 g/mol, XLogP of 0.99, 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)propan-1-amine is sourced from PubChem (CID 60853273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).