5-chloro-N-[4-(1,3-difluoropropan-2-yl)cyclohexyl]-6-ethylpyrimidin-4-amine

C15H22ClF2N3 — CID 21252692

IUPAC5-chloro-N-[4-(1,3-difluoropropan-2-yl)cyclohexyl]-6-ethylpyrimidin-4-amine
SMILESCCc1ncnc(NC2CCC(C(CF)CF)CC2)c1Cl
InChIInChI=1S/C15H22ClF2N3/c1-2-13-14(16)15(20-9-19-13)21-12-5-3-10(4-6-12)11(7-17)8-18/h9-12H,2-8H2,1H3,(H,19,20,21)
InChIKeyLRIKYSHGWRWVCN-UHFFFAOYSA-N
MW317.81 g/mol
LogP4.22
Rot. Bonds6

About 5-chloro-N-[4-(1,3-difluoropropan-2-yl)cyclohexyl]-6-ethylpyrimidin-4-amine

5-chloro-N-[4-(1,3-difluoropropan-2-yl)cyclohexyl]-6-ethylpyrimidin-4-amine (PubChem CID 21252692) has the molecular formula C15H22ClF2N3 and a molecular weight of 317.81 g/mol. Its IUPAC name is 5-chloro-N-[4-(1,3-difluoropropan-2-yl)cyclohexyl]-6-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[4-(1,3-difluoropropan-2-yl)cyclohexyl]-6-ethylpyrimidin-4-amine
PubChem CID21252692
Molecular FormulaC15H22ClF2N3
Molecular Weight317.81 g/mol
Exact Mass317.15
IUPAC Name5-chloro-N-[4-(1,3-difluoropropan-2-yl)cyclohexyl]-6-ethylpyrimidin-4-amine
SMILESCCc1ncnc(NC2CCC(C(CF)CF)CC2)c1Cl
InChIInChI=1S/C15H22ClF2N3/c1-2-13-14(16)15(20-9-19-13)21-12-5-3-10(4-6-12)11(7-17)8-18/h9-12H,2-8H2,1H3,(H,19,20,21)
InChIKeyLRIKYSHGWRWVCN-UHFFFAOYSA-N
XLogP4.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.81
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-[4-(1,3-difluoropropan-2-yl)cyclohexyl]-6-ethylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(cis-4-Tert-butylcyclohexylamino)-6-ethyl-5-fluoropyrimidine
CID 11185082
5-chloro-N-(9,9-difluorononan-3-yl)-6-ethylpyrimidin-4-amine
CID 15016163
4-(cis-4-tert-Butylcyclohexylamino)-6-ethyl-5-trifluoromethylpyrimidine
CID 15334552
5-chloro-N-[8-(difluoromethylsulfanyl)octyl]-6-ethylpyrimidin-4-amine
CID 19892089
5-chloro-6-ethyl-N-[4-(1,2,2-trifluoroethyl)cyclohexyl]pyrimidin-4-amine
CID 20640258
5-Chloro-6-ethyl-4-[cis-4-(1-hydroxy-2,2,2-trifluoroethyl)cyclohexylamino]pyrimidine
CID 21252680
5-chloro-N-[4-(3,3-difluoropropyl)cyclohexyl]-6-ethylpyrimidin-4-amine
CID 21252708
5-Chloro-6-ethyl-4-[cis-4-(1-ethoxy-2,2,2-trifluoroethyl)cyclohexylamino]pyrimidine
CID 21252716
4-(cis-4-tert-Butylcyclohexylamino)-6-methyl-5-(2-fluoroethyl)pyrimidine
CID 22097418
4-(cis-4-tert-Butylcyclohexylamino)-6-ethyl-5-pentafluoroethylpyrimidine
CID 22097428
4-(cis-4-tert-Butylcyclohexylamino)-6-ethyl-5-fluoromethylpyrimidine
CID 22097429
5-chloro-6-ethyl-N-(9-fluoroundecan-3-yl)pyrimidin-4-amine
CID 23049205

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(1,3-difluoropropan-2-yl)cyclohexyl]-6-ethylpyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[4-(1,3-difluoropropan-2-yl)cyclohexyl]-6-ethylpyrimidin-4-amine (CID 21252692) is 5-chloro-N-[4-(1,3-difluoropropan-2-yl)cyclohexyl]-6-ethylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[4-(1,3-difluoropropan-2-yl)cyclohexyl]-6-ethylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[4-(1,3-difluoropropan-2-yl)cyclohexyl]-6-ethylpyrimidin-4-amine is CCc1ncnc(NC2CCC(C(CF)CF)CC2)c1Cl.
What is the InChIKey of 5-chloro-N-[4-(1,3-difluoropropan-2-yl)cyclohexyl]-6-ethylpyrimidin-4-amine?
The InChIKey is LRIKYSHGWRWVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClF2N3/c1-2-13-14(16)15(20-9-19-13)21-12-5-3-10(4-6-12)11(7-17)8-18/h9-12H,2-8H2,1H3,(H,19,20,21).
What are the key properties of 5-chloro-N-[4-(1,3-difluoropropan-2-yl)cyclohexyl]-6-ethylpyrimidin-4-amine?
5-chloro-N-[4-(1,3-difluoropropan-2-yl)cyclohexyl]-6-ethylpyrimidin-4-amine has a molecular weight of 317.81 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(1,3-difluoropropan-2-yl)cyclohexyl]-6-ethylpyrimidin-4-amine is sourced from PubChem (CID 21252692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).