4-N,6-dimethyl-5-[5-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;ethane;pentane

C22H36F3N5S — CID 143946559

IUPAC4-N,6-dimethyl-5-[5-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;ethane;pentane
SMILESC/C=C\c1nc(-c2c(C)nc(NCC(F)(F)F)nc2NC)sc1C.CC.CCCCC
InChIInChI=1S/C15H18F3N5S.C5H12.C2H6/c1-5-6-10-9(3)24-13(22-10)11-8(2)21-14(23-12(11)19-4)20-7-15(16,17)18;1-3-5-4-2;1-2/h5-6H,7H2,1-4H3,(H2,19,20,21,23);3-5H2,1-2H3;1-2H3/b6-5-;;
InChIKeyICVPNGSCWKIFOC-XNOMRPDFSA-N
MW459.63 g/mol
LogP7.49
Rot. Bonds7

About 4-N,6-dimethyl-5-[5-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;ethane;pentane

4-N,6-dimethyl-5-[5-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;ethane;pentane (PubChem CID 143946559) has the molecular formula C22H36F3N5S and a molecular weight of 459.63 g/mol. Its IUPAC name is 4-N,6-dimethyl-5-[5-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;ethane;pentane.

Molecular Properties

Compound Name4-N,6-dimethyl-5-[5-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;ethane;pentane
PubChem CID143946559
Molecular FormulaC22H36F3N5S
Molecular Weight459.63 g/mol
Exact Mass459.26
IUPAC Name4-N,6-dimethyl-5-[5-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;ethane;pentane
SMILESC/C=C\c1nc(-c2c(C)nc(NCC(F)(F)F)nc2NC)sc1C.CC.CCCCC
InChIInChI=1S/C15H18F3N5S.C5H12.C2H6/c1-5-6-10-9(3)24-13(22-10)11-8(2)21-14(23-12(11)19-4)20-7-15(16,17)18;1-3-5-4-2;1-2/h5-6H,7H2,1-4H3,(H2,19,20,21,23);3-5H2,1-2H3;1-2H3/b6-5-;;
InChIKeyICVPNGSCWKIFOC-XNOMRPDFSA-N
XLogP7.49
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.63
LogP ≤ 57.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N,6-dimethyl-5-[5-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;ethane;pentane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N,6-dimethyl-5-[5-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;ethane;pentane?
The IUPAC name of 4-N,6-dimethyl-5-[5-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;ethane;pentane (CID 143946559) is 4-N,6-dimethyl-5-[5-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;ethane;pentane.
What is the SMILES notation for 4-N,6-dimethyl-5-[5-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;ethane;pentane?
The canonical SMILES for 4-N,6-dimethyl-5-[5-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;ethane;pentane is C/C=C\c1nc(-c2c(C)nc(NCC(F)(F)F)nc2NC)sc1C.CC.CCCCC.
What is the InChIKey of 4-N,6-dimethyl-5-[5-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;ethane;pentane?
The InChIKey is ICVPNGSCWKIFOC-XNOMRPDFSA-N. The full InChI is InChI=1S/C15H18F3N5S.C5H12.C2H6/c1-5-6-10-9(3)24-13(22-10)11-8(2)21-14(23-12(11)19-4)20-7-15(16,17)18;1-3-5-4-2;1-2/h5-6H,7H2,1-4H3,(H2,19,20,21,23);3-5H2,1-2H3;1-2H3/b6-5-;;.
What are the key properties of 4-N,6-dimethyl-5-[5-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;ethane;pentane?
4-N,6-dimethyl-5-[5-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;ethane;pentane has a molecular weight of 459.63 g/mol, XLogP of 7.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-dimethyl-5-[5-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;ethane;pentane is sourced from PubChem (CID 143946559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).