4-amino-2-piperidin-1-ylpyrimidine-5-carbonitrile

C10H13N5 — CID 2794592

IUPAC4-amino-2-piperidin-1-ylpyrimidine-5-carbonitrile
SMILESN#Cc1cnc(N2CCCCC2)nc1N
InChIInChI=1S/C10H13N5/c11-6-8-7-13-10(14-9(8)12)15-4-2-1-3-5-15/h7H,1-5H2,(H2,12,13,14)
InChIKeyDIMBMIZSLPVIKY-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.92
Rot. Bonds1

About 4-amino-2-piperidin-1-ylpyrimidine-5-carbonitrile

4-amino-2-piperidin-1-ylpyrimidine-5-carbonitrile (PubChem CID 2794592) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 4-amino-2-piperidin-1-ylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-piperidin-1-ylpyrimidine-5-carbonitrile
PubChem CID2794592
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name4-amino-2-piperidin-1-ylpyrimidine-5-carbonitrile
SMILESN#Cc1cnc(N2CCCCC2)nc1N
InChIInChI=1S/C10H13N5/c11-6-8-7-13-10(14-9(8)12)15-4-2-1-3-5-15/h7H,1-5H2,(H2,12,13,14)
InChIKeyDIMBMIZSLPVIKY-UHFFFAOYSA-N
XLogP0.92
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-piperidin-1-ylpyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-piperidin-1-ylpyrimidine-5-carbonitrile (CID 2794592) is 4-amino-2-piperidin-1-ylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-piperidin-1-ylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-piperidin-1-ylpyrimidine-5-carbonitrile is N#Cc1cnc(N2CCCCC2)nc1N.
What is the InChIKey of 4-amino-2-piperidin-1-ylpyrimidine-5-carbonitrile?
The InChIKey is DIMBMIZSLPVIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c11-6-8-7-13-10(14-9(8)12)15-4-2-1-3-5-15/h7H,1-5H2,(H2,12,13,14).
What are the key properties of 4-amino-2-piperidin-1-ylpyrimidine-5-carbonitrile?
4-amino-2-piperidin-1-ylpyrimidine-5-carbonitrile has a molecular weight of 203.25 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-piperidin-1-ylpyrimidine-5-carbonitrile is sourced from PubChem (CID 2794592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).