5-chloro-6-methyl-N-[2-(2,4,6-trimethylphenoxy)ethyl]pyrimidin-4-amine

C16H20ClN3O — CID 15588039

IUPAC5-chloro-6-methyl-N-[2-(2,4,6-trimethylphenoxy)ethyl]pyrimidin-4-amine
SMILESCc1cc(C)c(OCCNc2ncnc(C)c2Cl)c(C)c1
InChIInChI=1S/C16H20ClN3O/c1-10-7-11(2)15(12(3)8-10)21-6-5-18-16-14(17)13(4)19-9-20-16/h7-9H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyNWWWKTNMPFMBDU-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.85
Rot. Bonds5

About 5-chloro-6-methyl-N-[2-(2,4,6-trimethylphenoxy)ethyl]pyrimidin-4-amine

5-chloro-6-methyl-N-[2-(2,4,6-trimethylphenoxy)ethyl]pyrimidin-4-amine (PubChem CID 15588039) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 5-chloro-6-methyl-N-[2-(2,4,6-trimethylphenoxy)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-6-methyl-N-[2-(2,4,6-trimethylphenoxy)ethyl]pyrimidin-4-amine
PubChem CID15588039
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name5-chloro-6-methyl-N-[2-(2,4,6-trimethylphenoxy)ethyl]pyrimidin-4-amine
SMILESCc1cc(C)c(OCCNc2ncnc(C)c2Cl)c(C)c1
InChIInChI=1S/C16H20ClN3O/c1-10-7-11(2)15(12(3)8-10)21-6-5-18-16-14(17)13(4)19-9-20-16/h7-9H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyNWWWKTNMPFMBDU-UHFFFAOYSA-N
XLogP3.85
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-6-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]pyrimidin-4-amine
CID 15588038
5-chloro-N-[2-(2-hexyl-6-methylphenoxy)ethyl]-6-methylpyrimidin-4-amine
CID 13075403
5-chloro-6-methyl-N-[2-(2-methyl-4-prop-2-enylphenoxy)ethyl]pyrimidin-4-amine
CID 15588050
5-chloro-6-methyl-N-[2-(2-methyl-4-pentan-2-ylphenoxy)ethyl]pyrimidin-4-amine
CID 15588049
5-chloro-N-[2-(2-ethyl-4-propan-2-ylphenoxy)ethyl]-6-methylpyrimidin-4-amine
CID 15588061
N-[2-(4-butan-2-yl-2-ethylphenoxy)ethyl]-5-chloro-6-methylpyrimidin-4-amine
CID 15588065
5-chloro-6-methyl-N-[2-[4-(4-methylphenoxy)phenyl]ethyl]pyrimidin-4-amine
CID 144611754
5-chloro-N-[2-[2-(2-chlorophenyl)pyrazol-3-yl]oxyethyl]-6-methylpyrimidin-4-amine;methane
CID 160569200
N-[2-(4-benzyl-2-methylphenoxy)ethyl]-5-chloro-6-ethylpyrimidin-4-amine
CID 67895073
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-chloro-6-methylpyrimidin-4-amine;hydrochloride
CID 74220633
3-fluoro-N-[2-(2,4,6-trimethylphenoxy)ethyl]aniline
CID 63515360
2-methyl-4-(2,4,6-trimethylphenoxy)butan-2-ol
CID 79360580

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-N-[2-(2,4,6-trimethylphenoxy)ethyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-6-methyl-N-[2-(2,4,6-trimethylphenoxy)ethyl]pyrimidin-4-amine (CID 15588039) is 5-chloro-6-methyl-N-[2-(2,4,6-trimethylphenoxy)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-6-methyl-N-[2-(2,4,6-trimethylphenoxy)ethyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-6-methyl-N-[2-(2,4,6-trimethylphenoxy)ethyl]pyrimidin-4-amine is Cc1cc(C)c(OCCNc2ncnc(C)c2Cl)c(C)c1.
What is the InChIKey of 5-chloro-6-methyl-N-[2-(2,4,6-trimethylphenoxy)ethyl]pyrimidin-4-amine?
The InChIKey is NWWWKTNMPFMBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-10-7-11(2)15(12(3)8-10)21-6-5-18-16-14(17)13(4)19-9-20-16/h7-9H,5-6H2,1-4H3,(H,18,19,20).
What are the key properties of 5-chloro-6-methyl-N-[2-(2,4,6-trimethylphenoxy)ethyl]pyrimidin-4-amine?
5-chloro-6-methyl-N-[2-(2,4,6-trimethylphenoxy)ethyl]pyrimidin-4-amine has a molecular weight of 305.81 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-N-[2-(2,4,6-trimethylphenoxy)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 15588039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).