N-pyrimidin-2-yl-6-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazin-2-amine

C17H18N8 — CID 110252912

IUPACN-pyrimidin-2-yl-6-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazin-2-amine
SMILESc1cnc(Nc2cncc(C3CCCN(c4ncccn4)C3)n2)nc1
InChIInChI=1S/C17H18N8/c1-4-13(12-25(9-1)17-21-7-3-8-22-17)14-10-18-11-15(23-14)24-16-19-5-2-6-20-16/h2-3,5-8,10-11,13H,1,4,9,12H2,(H,19,20,23,24)
InChIKeyQCFDZWGJHMJIHV-UHFFFAOYSA-N
MW334.39 g/mol
LogP2.18
Rot. Bonds4

About N-pyrimidin-2-yl-6-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazin-2-amine

N-pyrimidin-2-yl-6-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazin-2-amine (PubChem CID 110252912) has the molecular formula C17H18N8 and a molecular weight of 334.39 g/mol. Its IUPAC name is N-pyrimidin-2-yl-6-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazin-2-amine.

Molecular Properties

Compound NameN-pyrimidin-2-yl-6-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazin-2-amine
PubChem CID110252912
Molecular FormulaC17H18N8
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC NameN-pyrimidin-2-yl-6-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazin-2-amine
SMILESc1cnc(Nc2cncc(C3CCCN(c4ncccn4)C3)n2)nc1
InChIInChI=1S/C17H18N8/c1-4-13(12-25(9-1)17-21-7-3-8-22-17)14-10-18-11-15(23-14)24-16-19-5-2-6-20-16/h2-3,5-8,10-11,13H,1,4,9,12H2,(H,19,20,23,24)
InChIKeyQCFDZWGJHMJIHV-UHFFFAOYSA-N
XLogP2.18
TPSA92.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-2-yl-6-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazin-2-amine?
The IUPAC name of N-pyrimidin-2-yl-6-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazin-2-amine (CID 110252912) is N-pyrimidin-2-yl-6-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazin-2-amine.
What is the SMILES notation for N-pyrimidin-2-yl-6-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazin-2-amine?
The canonical SMILES for N-pyrimidin-2-yl-6-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazin-2-amine is c1cnc(Nc2cncc(C3CCCN(c4ncccn4)C3)n2)nc1.
What is the InChIKey of N-pyrimidin-2-yl-6-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazin-2-amine?
The InChIKey is QCFDZWGJHMJIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8/c1-4-13(12-25(9-1)17-21-7-3-8-22-17)14-10-18-11-15(23-14)24-16-19-5-2-6-20-16/h2-3,5-8,10-11,13H,1,4,9,12H2,(H,19,20,23,24).
What are the key properties of N-pyrimidin-2-yl-6-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazin-2-amine?
N-pyrimidin-2-yl-6-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazin-2-amine has a molecular weight of 334.39 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-2-yl-6-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazin-2-amine is sourced from PubChem (CID 110252912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).