N-(pyrazin-2-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-amine

C14H18N6 — CID 62761801

IUPACN-(pyrazin-2-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-amine
SMILESc1cnc(N2CCC(NCc3cnccn3)CC2)nc1
InChIInChI=1S/C14H18N6/c1-4-17-14(18-5-1)20-8-2-12(3-9-20)19-11-13-10-15-6-7-16-13/h1,4-7,10,12,19H,2-3,8-9,11H2
InChIKeyHHUYDLBELVIRGE-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.03
Rot. Bonds4

About N-(pyrazin-2-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-amine

N-(pyrazin-2-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-amine (PubChem CID 62761801) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is N-(pyrazin-2-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(pyrazin-2-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-amine
PubChem CID62761801
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC NameN-(pyrazin-2-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-amine
SMILESc1cnc(N2CCC(NCc3cnccn3)CC2)nc1
InChIInChI=1S/C14H18N6/c1-4-17-14(18-5-1)20-8-2-12(3-9-20)19-11-13-10-15-6-7-16-13/h1,4-7,10,12,19H,2-3,8-9,11H2
InChIKeyHHUYDLBELVIRGE-UHFFFAOYSA-N
XLogP1.03
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(pyrazin-2-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-amine?
The IUPAC name of N-(pyrazin-2-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-amine (CID 62761801) is N-(pyrazin-2-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-amine.
What is the SMILES notation for N-(pyrazin-2-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-amine?
The canonical SMILES for N-(pyrazin-2-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-amine is c1cnc(N2CCC(NCc3cnccn3)CC2)nc1.
What is the InChIKey of N-(pyrazin-2-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-amine?
The InChIKey is HHUYDLBELVIRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c1-4-17-14(18-5-1)20-8-2-12(3-9-20)19-11-13-10-15-6-7-16-13/h1,4-7,10,12,19H,2-3,8-9,11H2.
What are the key properties of N-(pyrazin-2-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-amine?
N-(pyrazin-2-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-amine has a molecular weight of 270.34 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrazin-2-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-amine is sourced from PubChem (CID 62761801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).