N-butyl-4-piperazin-1-yl-5-pyridin-2-ylpyrimidin-2-amine

C17H24N6 — CID 72793044

IUPACN-butyl-4-piperazin-1-yl-5-pyridin-2-ylpyrimidin-2-amine
SMILESCCCCNc1ncc(-c2ccccn2)c(N2CCNCC2)n1
InChIInChI=1S/C17H24N6/c1-2-3-7-20-17-21-13-14(15-6-4-5-8-19-15)16(22-17)23-11-9-18-10-12-23/h4-6,8,13,18H,2-3,7,9-12H2,1H3,(H,20,21,22)
InChIKeyRTCOZPJVISFGRP-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.16
Rot. Bonds6

About N-butyl-4-piperazin-1-yl-5-pyridin-2-ylpyrimidin-2-amine

N-butyl-4-piperazin-1-yl-5-pyridin-2-ylpyrimidin-2-amine (PubChem CID 72793044) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is N-butyl-4-piperazin-1-yl-5-pyridin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-butyl-4-piperazin-1-yl-5-pyridin-2-ylpyrimidin-2-amine
PubChem CID72793044
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC NameN-butyl-4-piperazin-1-yl-5-pyridin-2-ylpyrimidin-2-amine
SMILESCCCCNc1ncc(-c2ccccn2)c(N2CCNCC2)n1
InChIInChI=1S/C17H24N6/c1-2-3-7-20-17-21-13-14(15-6-4-5-8-19-15)16(22-17)23-11-9-18-10-12-23/h4-6,8,13,18H,2-3,7,9-12H2,1H3,(H,20,21,22)
InChIKeyRTCOZPJVISFGRP-UHFFFAOYSA-N
XLogP2.16
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.16
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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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-piperazin-1-yl-5-pyridin-2-ylpyrimidin-2-amine?
The IUPAC name of N-butyl-4-piperazin-1-yl-5-pyridin-2-ylpyrimidin-2-amine (CID 72793044) is N-butyl-4-piperazin-1-yl-5-pyridin-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-butyl-4-piperazin-1-yl-5-pyridin-2-ylpyrimidin-2-amine?
The canonical SMILES for N-butyl-4-piperazin-1-yl-5-pyridin-2-ylpyrimidin-2-amine is CCCCNc1ncc(-c2ccccn2)c(N2CCNCC2)n1.
What is the InChIKey of N-butyl-4-piperazin-1-yl-5-pyridin-2-ylpyrimidin-2-amine?
The InChIKey is RTCOZPJVISFGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6/c1-2-3-7-20-17-21-13-14(15-6-4-5-8-19-15)16(22-17)23-11-9-18-10-12-23/h4-6,8,13,18H,2-3,7,9-12H2,1H3,(H,20,21,22).
What are the key properties of N-butyl-4-piperazin-1-yl-5-pyridin-2-ylpyrimidin-2-amine?
N-butyl-4-piperazin-1-yl-5-pyridin-2-ylpyrimidin-2-amine has a molecular weight of 312.42 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-piperazin-1-yl-5-pyridin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 72793044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).