N,6-diethyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine

C17H23N3O — CID 63479154

IUPACN,6-diethyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
SMILESCCNc1cc(CC)nc(-c2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C17H23N3O/c1-5-14-11-16(18-6-2)20-17(19-14)13-7-9-15(10-8-13)21-12(3)4/h7-12H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyNQPQTLHMDWCUPT-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.92
Rot. Bonds6

About N,6-diethyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine

N,6-diethyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine (PubChem CID 63479154) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N,6-diethyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-diethyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
PubChem CID63479154
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN,6-diethyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
SMILESCCNc1cc(CC)nc(-c2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C17H23N3O/c1-5-14-11-16(18-6-2)20-17(19-14)13-7-9-15(10-8-13)21-12(3)4/h7-12H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyNQPQTLHMDWCUPT-UHFFFAOYSA-N
XLogP3.92
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(methoxymethyl)-N-methyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 62318785
6-methyl-2-(4-propan-2-yloxyphenyl)-N-propylpyrimidin-4-amine
CID 63485807
2-(3,5-dimethoxyphenyl)-N,6-diethylpyrimidin-4-amine
CID 62202777
2-(4-propan-2-yloxyphenyl)-6-propylpyrimidin-4-amine
CID 62203678
N,6-diethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine
CID 65096408
N-ethyl-5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-amine
CID 55145179
2-(3-bromo-4-fluorophenyl)-N,6-diethylpyrimidin-4-amine
CID 82800968
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,6-diethylpyrimidin-4-amine
CID 62201527
4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
CID 157488014
2-(5-bromothiophen-2-yl)-N,6-diethylpyrimidin-4-amine
CID 62203466
6-ethyl-2-phenyl-N-propylpyrimidin-4-amine
CID 62192699
N-ethyl-2-(4-propan-2-yloxyphenyl)pyridin-4-amine
CID 102824750

Frequently Asked Questions

What is the IUPAC name of N,6-diethyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine?
The IUPAC name of N,6-diethyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine (CID 63479154) is N,6-diethyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for N,6-diethyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine?
The canonical SMILES for N,6-diethyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine is CCNc1cc(CC)nc(-c2ccc(OC(C)C)cc2)n1.
What is the InChIKey of N,6-diethyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine?
The InChIKey is NQPQTLHMDWCUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-5-14-11-16(18-6-2)20-17(19-14)13-7-9-15(10-8-13)21-12(3)4/h7-12H,5-6H2,1-4H3,(H,18,19,20).
What are the key properties of N,6-diethyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine?
N,6-diethyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-diethyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 63479154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).