6-(2-chloro-5-methylphenoxy)-N-ethyl-2-propylpyrimidin-4-amine

C16H20ClN3O — CID 80942643

IUPAC6-(2-chloro-5-methylphenoxy)-N-ethyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)cc(Oc2cc(C)ccc2Cl)n1
InChIInChI=1S/C16H20ClN3O/c1-4-6-14-19-15(18-5-2)10-16(20-14)21-13-9-11(3)7-8-12(13)17/h7-10H,4-6H2,1-3H3,(H,18,19,20)
InChIKeyHNAYYEKBGNNPPS-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.62
Rot. Bonds6

About 6-(2-chloro-5-methylphenoxy)-N-ethyl-2-propylpyrimidin-4-amine

6-(2-chloro-5-methylphenoxy)-N-ethyl-2-propylpyrimidin-4-amine (PubChem CID 80942643) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 6-(2-chloro-5-methylphenoxy)-N-ethyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-chloro-5-methylphenoxy)-N-ethyl-2-propylpyrimidin-4-amine
PubChem CID80942643
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name6-(2-chloro-5-methylphenoxy)-N-ethyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)cc(Oc2cc(C)ccc2Cl)n1
InChIInChI=1S/C16H20ClN3O/c1-4-6-14-19-15(18-5-2)10-16(20-14)21-13-9-11(3)7-8-12(13)17/h7-10H,4-6H2,1-3H3,(H,18,19,20)
InChIKeyHNAYYEKBGNNPPS-UHFFFAOYSA-N
XLogP4.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-chloro-5-methylphenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965650
6-(5-bromo-2-chlorophenoxy)-N,2-diethylpyrimidin-4-amine
CID 80941871
6-(2,5-dimethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 80949696
6-(4-chlorophenoxy)-N-ethyl-2-propylpyrimidin-4-amine
CID 80949548
N-ethyl-6-(2-methoxyphenoxy)-2-propylpyrimidin-4-amine
CID 80944699
4-chloro-6-(2-chloro-5-methylphenoxy)-2-ethylpyrimidine
CID 80942843
6-(2-chloro-4-methylphenoxy)-2-ethyl-N-methylpyrimidin-4-amine
CID 80942372
4-chloro-6-(2-fluoro-5-methylphenoxy)-2-propylpyrimidine
CID 80940227
6-(2,5-dichlorophenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80862821
[6-(3-methylphenoxy)-2-propylpyrimidin-4-yl]hydrazine
CID 80947768
4-[6-(ethylamino)-2-propylpyrimidin-4-yl]oxybenzonitrile
CID 80944234
6-(2,4-dichlorophenoxy)-2-ethyl-N-propylpyrimidin-4-amine
CID 80938694

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-5-methylphenoxy)-N-ethyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(2-chloro-5-methylphenoxy)-N-ethyl-2-propylpyrimidin-4-amine (CID 80942643) is 6-(2-chloro-5-methylphenoxy)-N-ethyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-chloro-5-methylphenoxy)-N-ethyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2-chloro-5-methylphenoxy)-N-ethyl-2-propylpyrimidin-4-amine is CCCc1nc(NCC)cc(Oc2cc(C)ccc2Cl)n1.
What is the InChIKey of 6-(2-chloro-5-methylphenoxy)-N-ethyl-2-propylpyrimidin-4-amine?
The InChIKey is HNAYYEKBGNNPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-4-6-14-19-15(18-5-2)10-16(20-14)21-13-9-11(3)7-8-12(13)17/h7-10H,4-6H2,1-3H3,(H,18,19,20).
What are the key properties of 6-(2-chloro-5-methylphenoxy)-N-ethyl-2-propylpyrimidin-4-amine?
6-(2-chloro-5-methylphenoxy)-N-ethyl-2-propylpyrimidin-4-amine has a molecular weight of 305.81 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-5-methylphenoxy)-N-ethyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80942643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).