N-[6-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-2-pyridinyl]pyrazin-2-amine

C19H21N7 — CID 95815305

IUPACN-[6-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-2-pyridinyl]pyrazin-2-amine
SMILESc1cnc(N2CCC(Cc3cccc(Nc4cnccn4)n3)CC2)nc1
InChIInChI=1S/C19H21N7/c1-3-16(24-17(4-1)25-18-14-20-9-10-21-18)13-15-5-11-26(12-6-15)19-22-7-2-8-23-19/h1-4,7-10,14-15H,5-6,11-13H2,(H,21,24,25)
InChIKeyAGTGETKPITVDEF-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.86
Rot. Bonds5

About N-[6-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-2-pyridinyl]pyrazin-2-amine

N-[6-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-2-pyridinyl]pyrazin-2-amine (PubChem CID 95815305) has the molecular formula C19H21N7 and a molecular weight of 347.43 g/mol. Its IUPAC name is N-[6-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-2-pyridinyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[6-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-2-pyridinyl]pyrazin-2-amine
PubChem CID95815305
Molecular FormulaC19H21N7
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC NameN-[6-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-2-pyridinyl]pyrazin-2-amine
SMILESc1cnc(N2CCC(Cc3cccc(Nc4cnccn4)n3)CC2)nc1
InChIInChI=1S/C19H21N7/c1-3-16(24-17(4-1)25-18-14-20-9-10-21-18)13-15-5-11-26(12-6-15)19-22-7-2-8-23-19/h1-4,7-10,14-15H,5-6,11-13H2,(H,21,24,25)
InChIKeyAGTGETKPITVDEF-UHFFFAOYSA-N
XLogP2.86
TPSA79.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-2-pyridinyl]pyrazin-2-amine?
The IUPAC name of N-[6-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-2-pyridinyl]pyrazin-2-amine (CID 95815305) is N-[6-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-2-pyridinyl]pyrazin-2-amine.
What is the SMILES notation for N-[6-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-2-pyridinyl]pyrazin-2-amine?
The canonical SMILES for N-[6-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-2-pyridinyl]pyrazin-2-amine is c1cnc(N2CCC(Cc3cccc(Nc4cnccn4)n3)CC2)nc1.
What is the InChIKey of N-[6-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-2-pyridinyl]pyrazin-2-amine?
The InChIKey is AGTGETKPITVDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7/c1-3-16(24-17(4-1)25-18-14-20-9-10-21-18)13-15-5-11-26(12-6-15)19-22-7-2-8-23-19/h1-4,7-10,14-15H,5-6,11-13H2,(H,21,24,25).
What are the key properties of N-[6-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-2-pyridinyl]pyrazin-2-amine?
N-[6-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-2-pyridinyl]pyrazin-2-amine has a molecular weight of 347.43 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-2-pyridinyl]pyrazin-2-amine is sourced from PubChem (CID 95815305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).