6-[(2-chlorophenyl)methoxy]-N-ethyl-5-propan-2-ylpyrimidin-4-amine

C16H20ClN3O — CID 80844937

IUPAC6-[(2-chlorophenyl)methoxy]-N-ethyl-5-propan-2-ylpyrimidin-4-amine
SMILESCCNc1ncnc(OCc2ccccc2Cl)c1C(C)C
InChIInChI=1S/C16H20ClN3O/c1-4-18-15-14(11(2)3)16(20-10-19-15)21-9-12-7-5-6-8-13(12)17/h5-8,10-11H,4,9H2,1-3H3,(H,18,19,20)
InChIKeyGAVGUOKZGMCUBS-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.26
Rot. Bonds6

About 6-[(2-chlorophenyl)methoxy]-N-ethyl-5-propan-2-ylpyrimidin-4-amine

6-[(2-chlorophenyl)methoxy]-N-ethyl-5-propan-2-ylpyrimidin-4-amine (PubChem CID 80844937) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 6-[(2-chlorophenyl)methoxy]-N-ethyl-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2-chlorophenyl)methoxy]-N-ethyl-5-propan-2-ylpyrimidin-4-amine
PubChem CID80844937
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name6-[(2-chlorophenyl)methoxy]-N-ethyl-5-propan-2-ylpyrimidin-4-amine
SMILESCCNc1ncnc(OCc2ccccc2Cl)c1C(C)C
InChIInChI=1S/C16H20ClN3O/c1-4-18-15-14(11(2)3)16(20-10-19-15)21-9-12-7-5-6-8-13(12)17/h5-8,10-11H,4,9H2,1-3H3,(H,18,19,20)
InChIKeyGAVGUOKZGMCUBS-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-chlorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80863799
N-ethyl-5-propan-2-yl-6-prop-2-ynoxypyrimidin-4-amine
CID 80861670
6-[(2-chlorophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine
CID 80859300
N-ethyl-6-(2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80863706
6-(3-chlorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80869449
N-ethyl-6-(3-methylbutan-2-yloxy)-5-propan-2-ylpyrimidin-4-amine
CID 80883020
4-N-(3-chloro-2-methylphenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80738260
6-N-ethyl-4-N-(2-phenylethyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80772452
N-ethyl-6-(3-methylbut-3-enoxy)-5-propan-2-ylpyrimidin-4-amine
CID 114471166
6-[(2-bromophenyl)methoxy]-N,5-diethylpyrimidin-4-amine
CID 82825929
6-[(2-bromophenyl)methoxy]-N-ethyl-5-propylpyrimidin-4-amine
CID 82808450
4-[(2-chlorophenyl)methoxy]-N-ethyl-5-methylpyrimidin-2-amine
CID 80859211

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chlorophenyl)methoxy]-N-ethyl-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-[(2-chlorophenyl)methoxy]-N-ethyl-5-propan-2-ylpyrimidin-4-amine (CID 80844937) is 6-[(2-chlorophenyl)methoxy]-N-ethyl-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[(2-chlorophenyl)methoxy]-N-ethyl-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-[(2-chlorophenyl)methoxy]-N-ethyl-5-propan-2-ylpyrimidin-4-amine is CCNc1ncnc(OCc2ccccc2Cl)c1C(C)C.
What is the InChIKey of 6-[(2-chlorophenyl)methoxy]-N-ethyl-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is GAVGUOKZGMCUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-4-18-15-14(11(2)3)16(20-10-19-15)21-9-12-7-5-6-8-13(12)17/h5-8,10-11H,4,9H2,1-3H3,(H,18,19,20).
What are the key properties of 6-[(2-chlorophenyl)methoxy]-N-ethyl-5-propan-2-ylpyrimidin-4-amine?
6-[(2-chlorophenyl)methoxy]-N-ethyl-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 305.81 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chlorophenyl)methoxy]-N-ethyl-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80844937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).