6-chloro-2-ethyl-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine

C12H14ClN3O — CID 80936336

IUPAC6-chloro-2-ethyl-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine
SMILESCCc1nc(Cl)cc(NC(C)c2ccco2)n1
InChIInChI=1S/C12H14ClN3O/c1-3-11-15-10(13)7-12(16-11)14-8(2)9-5-4-6-17-9/h4-8H,3H2,1-2H3,(H,14,15,16)
InChIKeySTMYTKKCAIQJTB-UHFFFAOYSA-N
MW251.72 g/mol
LogP3.46
Rot. Bonds4

About 6-chloro-2-ethyl-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine

6-chloro-2-ethyl-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine (PubChem CID 80936336) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine
PubChem CID80936336
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name6-chloro-2-ethyl-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine
SMILESCCc1nc(Cl)cc(NC(C)c2ccco2)n1
InChIInChI=1S/C12H14ClN3O/c1-3-11-15-10(13)7-12(16-11)14-8(2)9-5-4-6-17-9/h4-8H,3H2,1-2H3,(H,14,15,16)
InChIKeySTMYTKKCAIQJTB-UHFFFAOYSA-N
XLogP3.46
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-6-chloro-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine
CID 80953409
(2S)-2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80936381
6-chloro-2-propyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80940733
6-chloro-N-[1-(4-chlorophenyl)ethyl]-2-propylpyrimidin-4-amine
CID 80940901
6-chloro-2-ethyl-N-(2-methylbutyl)pyrimidin-4-amine
CID 80935562
4-N-[1-(furan-2-yl)ethyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80781855
N-benzyl-6-chloro-2-ethylpyrimidin-4-amine
CID 80935618
N-[1-(4-bromophenyl)ethyl]-6-chloro-2-propylpyrimidin-4-amine
CID 80938179
N-[1-(furan-2-yl)ethyl]-6-propylpyrimidin-4-amine
CID 61239949
N-[1-(furan-2-yl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66325662
N-[1-(furan-2-yl)ethyl]-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80907427
2-ethyl-6-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80933955

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine (CID 80936336) is 6-chloro-2-ethyl-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine is CCc1nc(Cl)cc(NC(C)c2ccco2)n1.
What is the InChIKey of 6-chloro-2-ethyl-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine?
The InChIKey is STMYTKKCAIQJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-3-11-15-10(13)7-12(16-11)14-8(2)9-5-4-6-17-9/h4-8H,3H2,1-2H3,(H,14,15,16).
What are the key properties of 6-chloro-2-ethyl-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine?
6-chloro-2-ethyl-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine has a molecular weight of 251.72 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 80936336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).