N-[4-[cyclohexyl(ethyl)amino]-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]formamide

C14H22FN5O — CID 18769907

IUPACN-[4-[cyclohexyl(ethyl)amino]-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]formamide
SMILESCCN(c1nc(NC=O)nc(C(C)F)n1)C1CCCCC1
InChIInChI=1S/C14H22FN5O/c1-3-20(11-7-5-4-6-8-11)14-18-12(10(2)15)17-13(19-14)16-9-21/h9-11H,3-8H2,1-2H3,(H,16,17,18,19,21)
InChIKeyDKMBBDXDWTZKTQ-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.63
Rot. Bonds6

About N-[4-[cyclohexyl(ethyl)amino]-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]formamide

N-[4-[cyclohexyl(ethyl)amino]-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]formamide (PubChem CID 18769907) has the molecular formula C14H22FN5O and a molecular weight of 295.36 g/mol. Its IUPAC name is N-[4-[cyclohexyl(ethyl)amino]-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]formamide.

Molecular Properties

Compound NameN-[4-[cyclohexyl(ethyl)amino]-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]formamide
PubChem CID18769907
Molecular FormulaC14H22FN5O
Molecular Weight295.36 g/mol
Exact Mass295.18
IUPAC NameN-[4-[cyclohexyl(ethyl)amino]-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]formamide
SMILESCCN(c1nc(NC=O)nc(C(C)F)n1)C1CCCCC1
InChIInChI=1S/C14H22FN5O/c1-3-20(11-7-5-4-6-8-11)14-18-12(10(2)15)17-13(19-14)16-9-21/h9-11H,3-8H2,1-2H3,(H,16,17,18,19,21)
InChIKeyDKMBBDXDWTZKTQ-UHFFFAOYSA-N
XLogP2.63
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-4-ethoxy-N-ethyl-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80927598
2-N-cyclopentyl-2-N-ethyl-4-N,4-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80774985
2-[cyclopentyl(ethyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107543687
6-chloro-2-N-cyclohexyl-2-N-ethyl-1,3,5-triazine-2,4-diamine
CID 53410711
4-N-cyclopentyl-4-N-ethyl-2-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80775774
N-cyclohexyl-N-ethyl-6-(methylaminomethyl)pyrazin-2-amine
CID 66457764
2-N-cyclohexyl-2-N-ethylpyrimidine-2,5-diamine
CID 61147065
2-N-cyclopentyl-6-methoxy-4-N-methyl-2-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80838977
N-cyclohexyl-N-ethyl-6-(propylaminomethyl)pyrazin-2-amine
CID 66458351
4-chloro-6-[cyclohexyl(ethyl)amino]-2-methylpyrimidine-5-carbaldehyde
CID 80732277
6-chloro-2-N-cyclopentyl-2-N-(2-methylpropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80838063
4-tert-butyl-2-[cyclohexyl(ethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 63512549

Frequently Asked Questions

What is the IUPAC name of N-[4-[cyclohexyl(ethyl)amino]-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]formamide?
The IUPAC name of N-[4-[cyclohexyl(ethyl)amino]-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]formamide (CID 18769907) is N-[4-[cyclohexyl(ethyl)amino]-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]formamide.
What is the SMILES notation for N-[4-[cyclohexyl(ethyl)amino]-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]formamide?
The canonical SMILES for N-[4-[cyclohexyl(ethyl)amino]-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]formamide is CCN(c1nc(NC=O)nc(C(C)F)n1)C1CCCCC1.
What is the InChIKey of N-[4-[cyclohexyl(ethyl)amino]-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]formamide?
The InChIKey is DKMBBDXDWTZKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN5O/c1-3-20(11-7-5-4-6-8-11)14-18-12(10(2)15)17-13(19-14)16-9-21/h9-11H,3-8H2,1-2H3,(H,16,17,18,19,21).
What are the key properties of N-[4-[cyclohexyl(ethyl)amino]-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]formamide?
N-[4-[cyclohexyl(ethyl)amino]-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]formamide has a molecular weight of 295.36 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[cyclohexyl(ethyl)amino]-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]formamide is sourced from PubChem (CID 18769907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).