N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

C15H18F3N5OS — CID 56869678

IUPACN-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESFC(F)(F)CCc1ccnc(NCc2csc(N3CCOCC3)n2)n1
InChIInChI=1S/C15H18F3N5OS/c16-15(17,18)3-1-11-2-4-19-13(21-11)20-9-12-10-25-14(22-12)23-5-7-24-8-6-23/h2,4,10H,1,3,5-9H2,(H,19,20,21)
InChIKeyHOGYTTZZGIHYSP-UHFFFAOYSA-N
MW373.40 g/mol
LogP2.88
Rot. Bonds6

About N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (PubChem CID 56869678) has the molecular formula C15H18F3N5OS and a molecular weight of 373.40 g/mol. Its IUPAC name is N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
PubChem CID56869678
Molecular FormulaC15H18F3N5OS
Molecular Weight373.40 g/mol
Exact Mass373.12
IUPAC NameN-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESFC(F)(F)CCc1ccnc(NCc2csc(N3CCOCC3)n2)n1
InChIInChI=1S/C15H18F3N5OS/c16-15(17,18)3-1-11-2-4-19-13(21-11)20-9-12-10-25-14(22-12)23-5-7-24-8-6-23/h2,4,10H,1,3,5-9H2,(H,19,20,21)
InChIKeyHOGYTTZZGIHYSP-UHFFFAOYSA-N
XLogP2.88
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine with MolForge

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Related Compounds

N-[(2-Isopropyl-1,3-thiazol-4-YL)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56864914
N-[(2-Amino-1,3-thiazol-4-YL)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56865350
2-(1-Ethoxyethyl)-4-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 71926487
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 50948196
N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56872487
N-(4,4-difluorocyclohexyl)-4-(4-methyl-1,3-thiazol-2-yl)-6-morpholin-4-ylpyrimidin-2-amine
CID 132206699
N-(4,4-difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)-6-(1-morpholin-4-ylethyl)pyrimidin-4-amine
CID 132207104
N-cyclopentyl-5-[2-[(5-morpholin-4-ylpyrimidin-2-yl)amino]pyrimidin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 140319296
N-[(3E,5E)-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)octa-3,5-dien-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 144204975
2-[4-(Difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]piperidin-1-yl]ethanamine
CID 164530315
2-[4-(Difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanamine
CID 164530326
2-(4-Methyl-1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine
CID 53538832

Frequently Asked Questions

What is the IUPAC name of N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The IUPAC name of N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (CID 56869678) is N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The canonical SMILES for N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is FC(F)(F)CCc1ccnc(NCc2csc(N3CCOCC3)n2)n1.
What is the InChIKey of N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The InChIKey is HOGYTTZZGIHYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5OS/c16-15(17,18)3-1-11-2-4-19-13(21-11)20-9-12-10-25-14(22-12)23-5-7-24-8-6-23/h2,4,10H,1,3,5-9H2,(H,19,20,21).
What are the key properties of N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine has a molecular weight of 373.40 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is sourced from PubChem (CID 56869678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).