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

C17H23N3 — CID 80936235

IUPACN,2-diethyl-6-(4-propan-2-ylphenyl)pyrimidin-4-amine
SMILESCCNc1cc(-c2ccc(C(C)C)cc2)nc(CC)n1
InChIInChI=1S/C17H23N3/c1-5-16-19-15(11-17(20-16)18-6-2)14-9-7-13(8-10-14)12(3)4/h7-12H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyOLNRHPGHWVASDQ-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.26
Rot. Bonds5

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

N,2-diethyl-6-(4-propan-2-ylphenyl)pyrimidin-4-amine (PubChem CID 80936235) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N,2-diethyl-6-(4-propan-2-ylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-diethyl-6-(4-propan-2-ylphenyl)pyrimidin-4-amine
PubChem CID80936235
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN,2-diethyl-6-(4-propan-2-ylphenyl)pyrimidin-4-amine
SMILESCCNc1cc(-c2ccc(C(C)C)cc2)nc(CC)n1
InChIInChI=1S/C17H23N3/c1-5-16-19-15(11-17(20-16)18-6-2)14-9-7-13(8-10-14)12(3)4/h7-12H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyOLNRHPGHWVASDQ-UHFFFAOYSA-N
XLogP4.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-ethyl-6-(4-propan-2-ylphenyl)pyrimidine
CID 80936220
N,2-diethyl-6-(3-fluorophenyl)pyrimidin-4-amine
CID 80936579
N,2-diethyl-6-pyridin-3-ylpyrimidin-4-amine
CID 78990312
N-ethyl-6-propan-2-yl-2-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 63485062
2-ethyl-6-(4-methoxyphenyl)-N-propylpyrimidin-4-amine
CID 80936844
N-ethyl-2-(4-propan-2-ylphenyl)pyridin-4-amine
CID 102824735
6-[4-(dimethylamino)phenyl]-N-ethyl-2-propylpyrimidin-4-amine
CID 80939152
N'-[2-methyl-6-(4-propan-2-ylphenyl)pyrimidin-4-yl]ethane-1,2-diamine
CID 96667770
N,2-diethyl-6-quinolin-3-ylpyrimidin-4-amine
CID 80938836
N,2-diethyl-6-(2-methylphenyl)pyrimidin-4-amine
CID 80935861
N-ethyl-2-propan-2-yl-6-pyridin-4-ylpyrimidin-4-amine
CID 80952838
6-N,2-diethyl-4-N-[1-(4-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 80940032

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-6-(4-propan-2-ylphenyl)pyrimidin-4-amine?
The IUPAC name of N,2-diethyl-6-(4-propan-2-ylphenyl)pyrimidin-4-amine (CID 80936235) is N,2-diethyl-6-(4-propan-2-ylphenyl)pyrimidin-4-amine.
What is the SMILES notation for N,2-diethyl-6-(4-propan-2-ylphenyl)pyrimidin-4-amine?
The canonical SMILES for N,2-diethyl-6-(4-propan-2-ylphenyl)pyrimidin-4-amine is CCNc1cc(-c2ccc(C(C)C)cc2)nc(CC)n1.
What is the InChIKey of N,2-diethyl-6-(4-propan-2-ylphenyl)pyrimidin-4-amine?
The InChIKey is OLNRHPGHWVASDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-5-16-19-15(11-17(20-16)18-6-2)14-9-7-13(8-10-14)12(3)4/h7-12H,5-6H2,1-4H3,(H,18,19,20).
What are the key properties of N,2-diethyl-6-(4-propan-2-ylphenyl)pyrimidin-4-amine?
N,2-diethyl-6-(4-propan-2-ylphenyl)pyrimidin-4-amine has a molecular weight of 269.39 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-6-(4-propan-2-ylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 80936235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).