5-fluoro-4-methoxy-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-2-amine

C12H14FN3OS — CID 135109642

IUPAC5-fluoro-4-methoxy-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-2-amine
SMILESCOc1nc(NC(C)Cc2cccs2)ncc1F
InChIInChI=1S/C12H14FN3OS/c1-8(6-9-4-3-5-18-9)15-12-14-7-10(13)11(16-12)17-2/h3-5,7-8H,6H2,1-2H3,(H,14,15,16)
InChIKeyLNVCKTHVZPSCNY-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.73
Rot. Bonds5

About 5-fluoro-4-methoxy-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-2-amine

5-fluoro-4-methoxy-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-2-amine (PubChem CID 135109642) has the molecular formula C12H14FN3OS and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-methoxy-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-2-amine
PubChem CID135109642
Molecular FormulaC12H14FN3OS
Molecular Weight267.33 g/mol
Exact Mass267.08
IUPAC Name5-fluoro-4-methoxy-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-2-amine
SMILESCOc1nc(NC(C)Cc2cccs2)ncc1F
InChIInChI=1S/C12H14FN3OS/c1-8(6-9-4-3-5-18-9)15-12-14-7-10(13)11(16-12)17-2/h3-5,7-8H,6H2,1-2H3,(H,14,15,16)
InChIKeyLNVCKTHVZPSCNY-UHFFFAOYSA-N
XLogP2.73
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dimethoxy-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine
CID 63291908
5-chloro-2-methoxy-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 80757935
6-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 61397753
5-fluoro-N-propyl-4-(2-thiophen-2-ylethoxy)pyrimidin-2-amine
CID 80872490
4-N-methyl-6-propan-2-yloxy-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80813456
N-(1-thiophen-2-ylpropan-2-yl)pyridin-4-amine
CID 63292001
5-bromo-N-(1-thiophen-2-ylpropan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796179
4-fluoro-5-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,2-diamine
CID 103590392
5-bromo-4-methoxy-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine
CID 102809527
5-fluoro-4-methoxy-N-phenylpyrimidin-2-amine
CID 121221051
2-N-ethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80830294
4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-3,4-diamine
CID 103963293

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxy-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-methoxy-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-2-amine (CID 135109642) is 5-fluoro-4-methoxy-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-methoxy-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-methoxy-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-2-amine is COc1nc(NC(C)Cc2cccs2)ncc1F.
What is the InChIKey of 5-fluoro-4-methoxy-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-2-amine?
The InChIKey is LNVCKTHVZPSCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3OS/c1-8(6-9-4-3-5-18-9)15-12-14-7-10(13)11(16-12)17-2/h3-5,7-8H,6H2,1-2H3,(H,14,15,16).
What are the key properties of 5-fluoro-4-methoxy-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-2-amine?
5-fluoro-4-methoxy-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-2-amine has a molecular weight of 267.33 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxy-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 135109642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).