N-(2,2-difluorocyclohexyl)-6-(1-ethoxyethenyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine

C18H22F2N4OS — CID 139300465

IUPACN-(2,2-difluorocyclohexyl)-6-(1-ethoxyethenyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESC=C(OCC)c1cc(NC2CCCCC2(F)F)nc(-c2nc(C)cs2)n1
InChIInChI=1S/C18H22F2N4OS/c1-4-25-12(3)13-9-15(23-14-7-5-6-8-18(14,19)20)24-16(22-13)17-21-11(2)10-26-17/h9-10,14H,3-8H2,1-2H3,(H,22,23,24)
InChIKeyMGXOLPCWEYZWLO-UHFFFAOYSA-N
MW380.46 g/mol
LogP4.91
Rot. Bonds6

About N-(2,2-difluorocyclohexyl)-6-(1-ethoxyethenyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine

N-(2,2-difluorocyclohexyl)-6-(1-ethoxyethenyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine (PubChem CID 139300465) has the molecular formula C18H22F2N4OS and a molecular weight of 380.46 g/mol. Its IUPAC name is N-(2,2-difluorocyclohexyl)-6-(1-ethoxyethenyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,2-difluorocyclohexyl)-6-(1-ethoxyethenyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
PubChem CID139300465
Molecular FormulaC18H22F2N4OS
Molecular Weight380.46 g/mol
Exact Mass380.15
IUPAC NameN-(2,2-difluorocyclohexyl)-6-(1-ethoxyethenyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESC=C(OCC)c1cc(NC2CCCCC2(F)F)nc(-c2nc(C)cs2)n1
InChIInChI=1S/C18H22F2N4OS/c1-4-25-12(3)13-9-15(23-14-7-5-6-8-18(14,19)20)24-16(22-13)17-21-11(2)10-26-17/h9-10,14H,3-8H2,1-2H3,(H,22,23,24)
InChIKeyMGXOLPCWEYZWLO-UHFFFAOYSA-N
XLogP4.91
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze N-(2,2-difluorocyclohexyl)-6-(1-ethoxyethenyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-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

N,2-dimethyl-6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]pyrimidin-4-amine
CID 110271888
4-[4-(Methoxymethyl)-6-piperidin-1-ylpyrimidin-2-yl]-2-methyl-1,3-thiazole
CID 2745354
[2-[4-[(4,4-Difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-1,3-thiazol-4-yl]methanol
CID 132206664
N-(4,4-difluorocyclohexyl)-6-(methoxymethyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
CID 132206731
2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-(4,4-difluorocyclohexyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 132206765
N-(2,2-difluorocyclohexyl)-6-(1-methoxyethyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
CID 132206828
N-(4,4-difluorocyclohexyl)-6-(1-ethoxyethenyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
CID 132207092
(1R)-1-[6-[(4,4-difluorocyclohexyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]ethanol
CID 132207094
1-[6-[(4,4-Difluorocyclohexyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]ethanol
CID 132207095
(1S)-1-[6-[(4,4-difluorocyclohexyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]ethanol
CID 132207096
N-(4,4-difluorocyclohexyl)-4-[(1S)-1-methoxyethyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine
CID 132207287
N-(4,4-difluorocyclohexyl)-4-(1-methoxyethyl)-6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine
CID 132207298

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluorocyclohexyl)-6-(1-ethoxyethenyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
The IUPAC name of N-(2,2-difluorocyclohexyl)-6-(1-ethoxyethenyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine (CID 139300465) is N-(2,2-difluorocyclohexyl)-6-(1-ethoxyethenyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(2,2-difluorocyclohexyl)-6-(1-ethoxyethenyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
The canonical SMILES for N-(2,2-difluorocyclohexyl)-6-(1-ethoxyethenyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine is C=C(OCC)c1cc(NC2CCCCC2(F)F)nc(-c2nc(C)cs2)n1.
What is the InChIKey of N-(2,2-difluorocyclohexyl)-6-(1-ethoxyethenyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
The InChIKey is MGXOLPCWEYZWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4OS/c1-4-25-12(3)13-9-15(23-14-7-5-6-8-18(14,19)20)24-16(22-13)17-21-11(2)10-26-17/h9-10,14H,3-8H2,1-2H3,(H,22,23,24).
What are the key properties of N-(2,2-difluorocyclohexyl)-6-(1-ethoxyethenyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
N-(2,2-difluorocyclohexyl)-6-(1-ethoxyethenyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine has a molecular weight of 380.46 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluorocyclohexyl)-6-(1-ethoxyethenyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 139300465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).