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

C13H18N4 — CID 67325701

IUPAC5-[(1-ethylcyclohexyl)amino]pyrimidine-2-carbonitrile
SMILESCCC1(Nc2cnc(C#N)nc2)CCCCC1
InChIInChI=1S/C13H18N4/c1-2-13(6-4-3-5-7-13)17-11-9-15-12(8-14)16-10-11/h9-10,17H,2-7H2,1H3
InChIKeyNVPVUARKVFSFCV-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.87
Rot. Bonds3

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

5-[(1-ethylcyclohexyl)amino]pyrimidine-2-carbonitrile (PubChem CID 67325701) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-[(1-ethylcyclohexyl)amino]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-[(1-ethylcyclohexyl)amino]pyrimidine-2-carbonitrile
PubChem CID67325701
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name5-[(1-ethylcyclohexyl)amino]pyrimidine-2-carbonitrile
SMILESCCC1(Nc2cnc(C#N)nc2)CCCCC1
InChIInChI=1S/C13H18N4/c1-2-13(6-4-3-5-7-13)17-11-9-15-12(8-14)16-10-11/h9-10,17H,2-7H2,1H3
InChIKeyNVPVUARKVFSFCV-UHFFFAOYSA-N
XLogP2.87
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylcyclohexyl)amino]pyrimidine-2-carbonitrile?
The IUPAC name of 5-[(1-ethylcyclohexyl)amino]pyrimidine-2-carbonitrile (CID 67325701) is 5-[(1-ethylcyclohexyl)amino]pyrimidine-2-carbonitrile.
What is the SMILES notation for 5-[(1-ethylcyclohexyl)amino]pyrimidine-2-carbonitrile?
The canonical SMILES for 5-[(1-ethylcyclohexyl)amino]pyrimidine-2-carbonitrile is CCC1(Nc2cnc(C#N)nc2)CCCCC1.
What is the InChIKey of 5-[(1-ethylcyclohexyl)amino]pyrimidine-2-carbonitrile?
The InChIKey is NVPVUARKVFSFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-2-13(6-4-3-5-7-13)17-11-9-15-12(8-14)16-10-11/h9-10,17H,2-7H2,1H3.
What are the key properties of 5-[(1-ethylcyclohexyl)amino]pyrimidine-2-carbonitrile?
5-[(1-ethylcyclohexyl)amino]pyrimidine-2-carbonitrile has a molecular weight of 230.31 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 5-[(1-ethylcyclohexyl)amino]pyrimidine-2-carbonitrile is sourced from PubChem (CID 67325701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).