2-[(1-cyclohexylcyclopropyl)amino]pyrimidine-5-carbonitrile

C14H18N4 — CID 135321209

IUPAC2-[(1-cyclohexylcyclopropyl)amino]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(NC2(C3CCCCC3)CC2)nc1
InChIInChI=1S/C14H18N4/c15-8-11-9-16-13(17-10-11)18-14(6-7-14)12-4-2-1-3-5-12/h9-10,12H,1-7H2,(H,16,17,18)
InChIKeyCKOZJHKOFIQTKU-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.87
Rot. Bonds3

About 2-[(1-cyclohexylcyclopropyl)amino]pyrimidine-5-carbonitrile

2-[(1-cyclohexylcyclopropyl)amino]pyrimidine-5-carbonitrile (PubChem CID 135321209) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 2-[(1-cyclohexylcyclopropyl)amino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-[(1-cyclohexylcyclopropyl)amino]pyrimidine-5-carbonitrile
PubChem CID135321209
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name2-[(1-cyclohexylcyclopropyl)amino]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(NC2(C3CCCCC3)CC2)nc1
InChIInChI=1S/C14H18N4/c15-8-11-9-16-13(17-10-11)18-14(6-7-14)12-4-2-1-3-5-12/h9-10,12H,1-7H2,(H,16,17,18)
InChIKeyCKOZJHKOFIQTKU-UHFFFAOYSA-N
XLogP2.87
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclohexylcyclopropyl)amino]pyrimidine-5-carbonitrile?
The IUPAC name of 2-[(1-cyclohexylcyclopropyl)amino]pyrimidine-5-carbonitrile (CID 135321209) is 2-[(1-cyclohexylcyclopropyl)amino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-[(1-cyclohexylcyclopropyl)amino]pyrimidine-5-carbonitrile?
The canonical SMILES for 2-[(1-cyclohexylcyclopropyl)amino]pyrimidine-5-carbonitrile is N#Cc1cnc(NC2(C3CCCCC3)CC2)nc1.
What is the InChIKey of 2-[(1-cyclohexylcyclopropyl)amino]pyrimidine-5-carbonitrile?
The InChIKey is CKOZJHKOFIQTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c15-8-11-9-16-13(17-10-11)18-14(6-7-14)12-4-2-1-3-5-12/h9-10,12H,1-7H2,(H,16,17,18).
What are the key properties of 2-[(1-cyclohexylcyclopropyl)amino]pyrimidine-5-carbonitrile?
2-[(1-cyclohexylcyclopropyl)amino]pyrimidine-5-carbonitrile has a molecular weight of 242.33 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclohexylcyclopropyl)amino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 135321209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).