4-chloro-6-(4-ethylphenoxy)pyrimidin-2-amine

C12H12ClN3O — CID 815741

IUPAC4-chloro-6-(4-ethylphenoxy)pyrimidin-2-amine
SMILESCCc1ccc(Oc2cc(Cl)nc(N)n2)cc1
InChIInChI=1S/C12H12ClN3O/c1-2-8-3-5-9(6-4-8)17-11-7-10(13)15-12(14)16-11/h3-7H,2H2,1H3,(H2,14,15,16)
InChIKeyWVCGKJPQJNRCBE-UHFFFAOYSA-N
MW249.70 g/mol
LogP3.07
Rot. Bonds3

About 4-chloro-6-(4-ethylphenoxy)pyrimidin-2-amine

4-chloro-6-(4-ethylphenoxy)pyrimidin-2-amine (PubChem CID 815741) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 4-chloro-6-(4-ethylphenoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(4-ethylphenoxy)pyrimidin-2-amine
PubChem CID815741
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name4-chloro-6-(4-ethylphenoxy)pyrimidin-2-amine
SMILESCCc1ccc(Oc2cc(Cl)nc(N)n2)cc1
InChIInChI=1S/C12H12ClN3O/c1-2-8-3-5-9(6-4-8)17-11-7-10(13)15-12(14)16-11/h3-7H,2H2,1H3,(H2,14,15,16)
InChIKeyWVCGKJPQJNRCBE-UHFFFAOYSA-N
XLogP3.07
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methoxy-6-(2-prop-2-enylphenoxy)pyrimidine-2-ylamine
CID 686101
4-(2,5-Dimethylphenoxy)-6-fluoropyrimidin-2-amine
CID 695400
4-Chloro-6-(2-fluorophenoxy)pyrimidin-2-amine
CID 683987
4-Chloro-6-(3-methoxyphenoxy)pyrimidin-2-amine
CID 748222
4-Chloro-5-(4-methoxybenzyl)-6-methylpyrimidin-2-amine
CID 919161
6-(Benzyloxy)pyrimidine-2,4-diamine
CID 10130617
4-Methoxy-6-phenoxypyrimidin-2-amine
CID 684938
4-(4-Ethylphenoxy)-6-methylpyrimidin-2-amine
CID 830665
4-Chloro-5-(4-ethoxy-benzyl)-6-methoxy-2-methylsulfanyl-pyrimidine
CID 838951
4,6-Dichloro-5-(4-ethoxy-benzyl)-pyrimidin-2-ylamine
CID 1124416
6-[(4-Methoxyphenyl)methoxy]pyrimidine-2,4-diamine
CID 80866364
4-(2-Allylphenoxy)-6-fluoro-2-pyrimidinamine
CID 741056

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-ethylphenoxy)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(4-ethylphenoxy)pyrimidin-2-amine (CID 815741) is 4-chloro-6-(4-ethylphenoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(4-ethylphenoxy)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(4-ethylphenoxy)pyrimidin-2-amine is CCc1ccc(Oc2cc(Cl)nc(N)n2)cc1.
What is the InChIKey of 4-chloro-6-(4-ethylphenoxy)pyrimidin-2-amine?
The InChIKey is WVCGKJPQJNRCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-2-8-3-5-9(6-4-8)17-11-7-10(13)15-12(14)16-11/h3-7H,2H2,1H3,(H2,14,15,16).
What are the key properties of 4-chloro-6-(4-ethylphenoxy)pyrimidin-2-amine?
4-chloro-6-(4-ethylphenoxy)pyrimidin-2-amine has a molecular weight of 249.70 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-ethylphenoxy)pyrimidin-2-amine is sourced from PubChem (CID 815741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).