4-chloro-6-ethyl-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-2-amine

C15H18ClN3O2 — CID 82460969

IUPAC4-chloro-6-ethyl-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-2-amine
SMILESCCc1cc(Cl)nc(NCCOc2ccc(OC)cc2)n1
InChIInChI=1S/C15H18ClN3O2/c1-3-11-10-14(16)19-15(18-11)17-8-9-21-13-6-4-12(20-2)5-7-13/h4-7,10H,3,8-9H2,1-2H3,(H,17,18,19)
InChIKeyQSHPYUMDZVFRAY-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.19
Rot. Bonds7

About 4-chloro-6-ethyl-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-2-amine

4-chloro-6-ethyl-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-2-amine (PubChem CID 82460969) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 4-chloro-6-ethyl-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-ethyl-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-2-amine
PubChem CID82460969
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name4-chloro-6-ethyl-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-2-amine
SMILESCCc1cc(Cl)nc(NCCOc2ccc(OC)cc2)n1
InChIInChI=1S/C15H18ClN3O2/c1-3-11-10-14(16)19-15(18-11)17-8-9-21-13-6-4-12(20-2)5-7-13/h4-7,10H,3,8-9H2,1-2H3,(H,17,18,19)
InChIKeyQSHPYUMDZVFRAY-UHFFFAOYSA-N
XLogP3.19
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-6-ethyl-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine
CID 82460947
3-[(4-chloro-6-ethylpyrimidin-2-yl)amino]propan-1-ol
CID 82460980
N-[2-(4-chlorophenoxy)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 78848661
N-[2-(4-aminophenoxy)ethyl]-4,6-dimethoxypyrimidin-2-amine
CID 115355315
2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112911567
2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-2,4-diamine
CID 112885905
2-N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112924535
2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112899521
2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892411
4-chloro-N-cyclopropyl-6-ethylpyrimidin-2-amine
CID 82460935
6-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112869510
3-N-[2-(4-methoxyphenoxy)ethyl]-5-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938365

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethyl-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-ethyl-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-2-amine (CID 82460969) is 4-chloro-6-ethyl-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-ethyl-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-ethyl-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-2-amine is CCc1cc(Cl)nc(NCCOc2ccc(OC)cc2)n1.
What is the InChIKey of 4-chloro-6-ethyl-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-2-amine?
The InChIKey is QSHPYUMDZVFRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-3-11-10-14(16)19-15(18-11)17-8-9-21-13-6-4-12(20-2)5-7-13/h4-7,10H,3,8-9H2,1-2H3,(H,17,18,19).
What are the key properties of 4-chloro-6-ethyl-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-2-amine?
4-chloro-6-ethyl-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-2-amine has a molecular weight of 307.78 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethyl-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 82460969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).