2-(5-chloro-4-ethoxy-2-methylphenyl)pyrimidin-5-amine

C13H14ClN3O — CID 82303511

IUPAC2-(5-chloro-4-ethoxy-2-methylphenyl)pyrimidin-5-amine
SMILESCCOc1cc(C)c(-c2ncc(N)cn2)cc1Cl
InChIInChI=1S/C13H14ClN3O/c1-3-18-12-4-8(2)10(5-11(12)14)13-16-6-9(15)7-17-13/h4-7H,3,15H2,1-2H3
InChIKeyMQPOJFTWHPUIEF-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.09
Rot. Bonds3

About 2-(5-chloro-4-ethoxy-2-methylphenyl)pyrimidin-5-amine

2-(5-chloro-4-ethoxy-2-methylphenyl)pyrimidin-5-amine (PubChem CID 82303511) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 2-(5-chloro-4-ethoxy-2-methylphenyl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-(5-chloro-4-ethoxy-2-methylphenyl)pyrimidin-5-amine
PubChem CID82303511
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name2-(5-chloro-4-ethoxy-2-methylphenyl)pyrimidin-5-amine
SMILESCCOc1cc(C)c(-c2ncc(N)cn2)cc1Cl
InChIInChI=1S/C13H14ClN3O/c1-3-18-12-4-8(2)10(5-11(12)14)13-16-6-9(15)7-17-13/h4-7H,3,15H2,1-2H3
InChIKeyMQPOJFTWHPUIEF-UHFFFAOYSA-N
XLogP3.09
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-chloro-4-ethoxy-2-methylphenyl)-6-methyl-1,3,5-triazin-2-amine
CID 98022071
5-(5-chloro-4-ethoxy-2-methylphenyl)-1,2-oxazol-3-amine
CID 82481596
3-(5-chloro-4-ethoxy-2-methylphenyl)-5-methyl-1H-pyrazol-4-amine
CID 82486859
[5-(5-chloro-4-ethoxy-2-methylphenyl)-1H-imidazol-2-yl]methanamine
CID 82304282
[5-(5-chloro-4-ethoxy-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82487457
1,4-dichloro-2-ethoxy-5-methylbenzene
CID 18335146
5-chloro-4-ethoxy-2-methylphenol
CID 82490779
3-(5-chloro-4-ethoxy-2-methylphenyl)-2,2-dimethylpropan-1-amine
CID 95464648
5-chloro-4-ethoxy-2-methylbenzenesulfonamide
CID 82297288
4-(5-chloro-4-ethoxy-2-methylphenyl)-2,3,6,7-tetrahydro-1H-azepine
CID 82304319
1-chloro-2-ethoxy-4-methoxy-5-methylbenzene
CID 71068382
2-(5-chloro-4-ethoxy-2-methylphenyl)-2-methylpropan-1-amine
CID 82293238

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-4-ethoxy-2-methylphenyl)pyrimidin-5-amine?
The IUPAC name of 2-(5-chloro-4-ethoxy-2-methylphenyl)pyrimidin-5-amine (CID 82303511) is 2-(5-chloro-4-ethoxy-2-methylphenyl)pyrimidin-5-amine.
What is the SMILES notation for 2-(5-chloro-4-ethoxy-2-methylphenyl)pyrimidin-5-amine?
The canonical SMILES for 2-(5-chloro-4-ethoxy-2-methylphenyl)pyrimidin-5-amine is CCOc1cc(C)c(-c2ncc(N)cn2)cc1Cl.
What is the InChIKey of 2-(5-chloro-4-ethoxy-2-methylphenyl)pyrimidin-5-amine?
The InChIKey is MQPOJFTWHPUIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-3-18-12-4-8(2)10(5-11(12)14)13-16-6-9(15)7-17-13/h4-7H,3,15H2,1-2H3.
What are the key properties of 2-(5-chloro-4-ethoxy-2-methylphenyl)pyrimidin-5-amine?
2-(5-chloro-4-ethoxy-2-methylphenyl)pyrimidin-5-amine has a molecular weight of 263.73 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-4-ethoxy-2-methylphenyl)pyrimidin-5-amine is sourced from PubChem (CID 82303511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).