2-chloro-N-[(5-ethylthiophen-2-yl)methyl]-5-fluoropyrimidin-4-amine

C11H11ClFN3S — CID 106014067

IUPAC2-chloro-N-[(5-ethylthiophen-2-yl)methyl]-5-fluoropyrimidin-4-amine
SMILESCCc1ccc(CNc2nc(Cl)ncc2F)s1
InChIInChI=1S/C11H11ClFN3S/c1-2-7-3-4-8(17-7)5-14-10-9(13)6-15-11(12)16-10/h3-4,6H,2,5H2,1H3,(H,14,15,16)
InChIKeyQFVGYFRBVTVJMB-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.51
Rot. Bonds4

About 2-chloro-N-[(5-ethylthiophen-2-yl)methyl]-5-fluoropyrimidin-4-amine

2-chloro-N-[(5-ethylthiophen-2-yl)methyl]-5-fluoropyrimidin-4-amine (PubChem CID 106014067) has the molecular formula C11H11ClFN3S and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-chloro-N-[(5-ethylthiophen-2-yl)methyl]-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(5-ethylthiophen-2-yl)methyl]-5-fluoropyrimidin-4-amine
PubChem CID106014067
Molecular FormulaC11H11ClFN3S
Molecular Weight271.75 g/mol
Exact Mass271.03
IUPAC Name2-chloro-N-[(5-ethylthiophen-2-yl)methyl]-5-fluoropyrimidin-4-amine
SMILESCCc1ccc(CNc2nc(Cl)ncc2F)s1
InChIInChI=1S/C11H11ClFN3S/c1-2-7-3-4-8(17-7)5-14-10-9(13)6-15-11(12)16-10/h3-4,6H,2,5H2,1H3,(H,14,15,16)
InChIKeyQFVGYFRBVTVJMB-UHFFFAOYSA-N
XLogP3.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 52941796
N-(thiophen-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 4414657
N-{[2-(ethylamino)pyrimidin-5-yl]methyl}-N',N'-dimethyl-N-[(5-methyl-2-thienyl)methyl]ethane-1,2-diamine
CID 46982427
4-N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 162643112
2-(2-Thienyl)pyrimidine
CID 818965
N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 1445614
5-(2-Thienyl)-4-pyrimidinamine
CID 600919
N-[2-(2-thienyl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 72898770
5-methyl-2-N,4-N-bis(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 91643957
5-methyl-2-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 117090814
N-methyl-1-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]methanamine
CID 137957137
N4-(benzothiophen-3-ylmethyl)-2-chloro-5-fluoro-4-pyrimidineamine
CID 22060979

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-ethylthiophen-2-yl)methyl]-5-fluoropyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[(5-ethylthiophen-2-yl)methyl]-5-fluoropyrimidin-4-amine (CID 106014067) is 2-chloro-N-[(5-ethylthiophen-2-yl)methyl]-5-fluoropyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[(5-ethylthiophen-2-yl)methyl]-5-fluoropyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[(5-ethylthiophen-2-yl)methyl]-5-fluoropyrimidin-4-amine is CCc1ccc(CNc2nc(Cl)ncc2F)s1.
What is the InChIKey of 2-chloro-N-[(5-ethylthiophen-2-yl)methyl]-5-fluoropyrimidin-4-amine?
The InChIKey is QFVGYFRBVTVJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3S/c1-2-7-3-4-8(17-7)5-14-10-9(13)6-15-11(12)16-10/h3-4,6H,2,5H2,1H3,(H,14,15,16).
What are the key properties of 2-chloro-N-[(5-ethylthiophen-2-yl)methyl]-5-fluoropyrimidin-4-amine?
2-chloro-N-[(5-ethylthiophen-2-yl)methyl]-5-fluoropyrimidin-4-amine has a molecular weight of 271.75 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-ethylthiophen-2-yl)methyl]-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 106014067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).