N-(4,4-difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)-6-prop-1-en-2-ylpyrimidin-4-amine

C17H20F2N4S — CID 134524539

IUPACN-(4,4-difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)-6-prop-1-en-2-ylpyrimidin-4-amine
SMILESC=C(C)c1cc(NC2CCC(F)(F)CC2)nc(-c2nc(C)cs2)n1
InChIInChI=1S/C17H20F2N4S/c1-10(2)13-8-14(21-12-4-6-17(18,19)7-5-12)23-15(22-13)16-20-11(3)9-24-16/h8-9,12H,1,4-7H2,2-3H3,(H,21,22,23)
InChIKeyOOOYPUADKSRKQD-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.93
Rot. Bonds4

About N-(4,4-difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)-6-prop-1-en-2-ylpyrimidin-4-amine

N-(4,4-difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)-6-prop-1-en-2-ylpyrimidin-4-amine (PubChem CID 134524539) has the molecular formula C17H20F2N4S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)-6-prop-1-en-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)-6-prop-1-en-2-ylpyrimidin-4-amine
PubChem CID134524539
Molecular FormulaC17H20F2N4S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC NameN-(4,4-difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)-6-prop-1-en-2-ylpyrimidin-4-amine
SMILESC=C(C)c1cc(NC2CCC(F)(F)CC2)nc(-c2nc(C)cs2)n1
InChIInChI=1S/C17H20F2N4S/c1-10(2)13-8-14(21-12-4-6-17(18,19)7-5-12)23-15(22-13)16-20-11(3)9-24-16/h8-9,12H,1,4-7H2,2-3H3,(H,21,22,23)
InChIKeyOOOYPUADKSRKQD-UHFFFAOYSA-N
XLogP4.93
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-amino-2-(4-fluorophenyl)ethyl]-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine
CID 46944070
4-N-(3-fluorophenyl)-2-N-propan-2-yl-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3,5-triazine-2,4-diamine
CID 89683962
4-[1-amino-2-[4-(trifluoromethyl)phenyl]ethyl]-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine
CID 49790602
N-[(2-Isopropyl-1,3-thiazol-4-YL)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56864914
4-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-6-ethylpyrimidine-2,4-diamine
CID 134414944
N~4~-{[2-(dimethylamino)-1,3-thiazol-4-yl]methyl}-6-isopropylpyrimidine-2,4-diamine
CID 72842929
6-propan-2-yl-4-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 72882505
N-[2-(4,5-Dimethyl-1,3-thiazol-2-YL)ethyl]-1-(6-ethyl-2-methylpyrimidin-4-YL)piperidin-4-amine
CID 72929445
4-methyl-N-[2-methyl-6-(1-methylpiperidin-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 110269637
6-(2-Aminoethyl)-N-[(2-isopropyl-1,3-thiazol-4-YL)methyl]-N,2-dimethylpyrimidin-4-amine
CID 56701328
N~4~-[(2-isopropyl-1,3-thiazol-4-yl)methyl]-N~4~-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine
CID 56904387
N~2~,6-dimethyl-N~4~-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 122566486

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)-6-prop-1-en-2-ylpyrimidin-4-amine?
The IUPAC name of N-(4,4-difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)-6-prop-1-en-2-ylpyrimidin-4-amine (CID 134524539) is N-(4,4-difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)-6-prop-1-en-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)-6-prop-1-en-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)-6-prop-1-en-2-ylpyrimidin-4-amine is C=C(C)c1cc(NC2CCC(F)(F)CC2)nc(-c2nc(C)cs2)n1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)-6-prop-1-en-2-ylpyrimidin-4-amine?
The InChIKey is OOOYPUADKSRKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4S/c1-10(2)13-8-14(21-12-4-6-17(18,19)7-5-12)23-15(22-13)16-20-11(3)9-24-16/h8-9,12H,1,4-7H2,2-3H3,(H,21,22,23).
What are the key properties of N-(4,4-difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)-6-prop-1-en-2-ylpyrimidin-4-amine?
N-(4,4-difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)-6-prop-1-en-2-ylpyrimidin-4-amine has a molecular weight of 350.44 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)-6-prop-1-en-2-ylpyrimidin-4-amine is sourced from PubChem (CID 134524539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).