6-amino-N-cyclohexylpyrimidine-4-carboxamide

C11H16N4O — CID 118882458

IUPAC6-amino-N-cyclohexylpyrimidine-4-carboxamide
SMILESNc1cc(C(=O)NC2CCCCC2)ncn1
InChIInChI=1S/C11H16N4O/c12-10-6-9(13-7-14-10)11(16)15-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,15,16)(H2,12,13,14)
InChIKeyLRAUUWOCUBLOIM-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.12
Rot. Bonds2

About 6-amino-N-cyclohexylpyrimidine-4-carboxamide

6-amino-N-cyclohexylpyrimidine-4-carboxamide (PubChem CID 118882458) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 6-amino-N-cyclohexylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-amino-N-cyclohexylpyrimidine-4-carboxamide
PubChem CID118882458
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name6-amino-N-cyclohexylpyrimidine-4-carboxamide
SMILESNc1cc(C(=O)NC2CCCCC2)ncn1
InChIInChI=1S/C11H16N4O/c12-10-6-9(13-7-14-10)11(16)15-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,15,16)(H2,12,13,14)
InChIKeyLRAUUWOCUBLOIM-UHFFFAOYSA-N
XLogP1.12
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-cyclohexylpyrimidine-4-carboxamide?
The IUPAC name of 6-amino-N-cyclohexylpyrimidine-4-carboxamide (CID 118882458) is 6-amino-N-cyclohexylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-amino-N-cyclohexylpyrimidine-4-carboxamide?
The canonical SMILES for 6-amino-N-cyclohexylpyrimidine-4-carboxamide is Nc1cc(C(=O)NC2CCCCC2)ncn1.
What is the InChIKey of 6-amino-N-cyclohexylpyrimidine-4-carboxamide?
The InChIKey is LRAUUWOCUBLOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c12-10-6-9(13-7-14-10)11(16)15-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,15,16)(H2,12,13,14).
What are the key properties of 6-amino-N-cyclohexylpyrimidine-4-carboxamide?
6-amino-N-cyclohexylpyrimidine-4-carboxamide has a molecular weight of 220.28 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-cyclohexylpyrimidine-4-carboxamide is sourced from PubChem (CID 118882458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).