4-amino-2-(cyclohexylamino)pyrimidine-5-carbonitrile

C11H15N5 — CID 4163635

IUPAC4-amino-2-(cyclohexylamino)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(NC2CCCCC2)nc1N
InChIInChI=1S/C11H15N5/c12-6-8-7-14-11(16-10(8)13)15-9-4-2-1-3-5-9/h7,9H,1-5H2,(H3,13,14,15,16)
InChIKeyFXLLLSVOPDPLCX-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.68
Rot. Bonds2

About 4-amino-2-(cyclohexylamino)pyrimidine-5-carbonitrile

4-amino-2-(cyclohexylamino)pyrimidine-5-carbonitrile (PubChem CID 4163635) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 4-amino-2-(cyclohexylamino)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(cyclohexylamino)pyrimidine-5-carbonitrile
PubChem CID4163635
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name4-amino-2-(cyclohexylamino)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(NC2CCCCC2)nc1N
InChIInChI=1S/C11H15N5/c12-6-8-7-14-11(16-10(8)13)15-9-4-2-1-3-5-9/h7,9H,1-5H2,(H3,13,14,15,16)
InChIKeyFXLLLSVOPDPLCX-UHFFFAOYSA-N
XLogP1.68
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(cyclohexylamino)pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-(cyclohexylamino)pyrimidine-5-carbonitrile (CID 4163635) is 4-amino-2-(cyclohexylamino)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-(cyclohexylamino)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-(cyclohexylamino)pyrimidine-5-carbonitrile is N#Cc1cnc(NC2CCCCC2)nc1N.
What is the InChIKey of 4-amino-2-(cyclohexylamino)pyrimidine-5-carbonitrile?
The InChIKey is FXLLLSVOPDPLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c12-6-8-7-14-11(16-10(8)13)15-9-4-2-1-3-5-9/h7,9H,1-5H2,(H3,13,14,15,16).
What are the key properties of 4-amino-2-(cyclohexylamino)pyrimidine-5-carbonitrile?
4-amino-2-(cyclohexylamino)pyrimidine-5-carbonitrile has a molecular weight of 217.28 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(cyclohexylamino)pyrimidine-5-carbonitrile is sourced from PubChem (CID 4163635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).