6-ethyl-5-fluoro-N-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine

C18H26FN5S — CID 155974593

IUPAC6-ethyl-5-fluoro-N-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine
SMILESCCc1ncnc(N(C)CC2CCN(Cc3csc(C)n3)CC2)c1F
InChIInChI=1S/C18H26FN5S/c1-4-16-17(19)18(21-12-20-16)23(3)9-14-5-7-24(8-6-14)10-15-11-25-13(2)22-15/h11-12,14H,4-10H2,1-3H3
InChIKeyFQKJGLIUPRXAQH-UHFFFAOYSA-N
MW363.51 g/mol
LogP3.29
Rot. Bonds6

About 6-ethyl-5-fluoro-N-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine

6-ethyl-5-fluoro-N-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine (PubChem CID 155974593) has the molecular formula C18H26FN5S and a molecular weight of 363.51 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine
PubChem CID155974593
Molecular FormulaC18H26FN5S
Molecular Weight363.51 g/mol
Exact Mass363.19
IUPAC Name6-ethyl-5-fluoro-N-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine
SMILESCCc1ncnc(N(C)CC2CCN(Cc3csc(C)n3)CC2)c1F
InChIInChI=1S/C18H26FN5S/c1-4-16-17(19)18(21-12-20-16)23(3)9-14-5-7-24(8-6-14)10-15-11-25-13(2)22-15/h11-12,14H,4-10H2,1-3H3
InChIKeyFQKJGLIUPRXAQH-UHFFFAOYSA-N
XLogP3.29
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-ethyl-5-fluoro-N-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine
CID 63250806
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 60643680
4-[[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 90494064
N,6-dimethyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889315
6-ethyl-5-fluoro-N-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine
CID 129336733
2-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 55258935
N,N-dimethyl-5-[[(4R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine
CID 125007588
5-fluoro-N,6-dimethyl-N-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-amine
CID 163344230
N-cyclopropyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890847
4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 54986069
ethyl 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate
CID 21202811
ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine (CID 155974593) is 6-ethyl-5-fluoro-N-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine is CCc1ncnc(N(C)CC2CCN(Cc3csc(C)n3)CC2)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine?
The InChIKey is FQKJGLIUPRXAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN5S/c1-4-16-17(19)18(21-12-20-16)23(3)9-14-5-7-24(8-6-14)10-15-11-25-13(2)22-15/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 6-ethyl-5-fluoro-N-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine?
6-ethyl-5-fluoro-N-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine has a molecular weight of 363.51 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 155974593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).