N-ethyl-1-[4-methyl-2-(2-phenylpropan-2-yl)pyrimidin-5-yl]ethanamine

C18H25N3 — CID 63086419

IUPACN-ethyl-1-[4-methyl-2-(2-phenylpropan-2-yl)pyrimidin-5-yl]ethanamine
SMILESCCNC(C)c1cnc(C(C)(C)c2ccccc2)nc1C
InChIInChI=1S/C18H25N3/c1-6-19-13(2)16-12-20-17(21-14(16)3)18(4,5)15-10-8-7-9-11-15/h7-13,19H,6H2,1-5H3
InChIKeyIOXCWRWLLDAUHV-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.78
Rot. Bonds5

About N-ethyl-1-[4-methyl-2-(2-phenylpropan-2-yl)pyrimidin-5-yl]ethanamine

N-ethyl-1-[4-methyl-2-(2-phenylpropan-2-yl)pyrimidin-5-yl]ethanamine (PubChem CID 63086419) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-ethyl-1-[4-methyl-2-(2-phenylpropan-2-yl)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[4-methyl-2-(2-phenylpropan-2-yl)pyrimidin-5-yl]ethanamine
PubChem CID63086419
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-ethyl-1-[4-methyl-2-(2-phenylpropan-2-yl)pyrimidin-5-yl]ethanamine
SMILESCCNC(C)c1cnc(C(C)(C)c2ccccc2)nc1C
InChIInChI=1S/C18H25N3/c1-6-19-13(2)16-12-20-17(21-14(16)3)18(4,5)15-10-8-7-9-11-15/h7-13,19H,6H2,1-5H3
InChIKeyIOXCWRWLLDAUHV-UHFFFAOYSA-N
XLogP3.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[4-methyl-2-(2-phenylpropan-2-yl)pyrimidin-5-yl]ethanol
CID 103431527
N-ethyl-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine
CID 62771730
1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine
CID 66153717
N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105082350
N-ethyl-1-[4-methyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethanamine
CID 62770321
1-(2-tert-butylphenyl)-N-ethylethanamine
CID 115765369
1-[2-[(3-bromophenyl)methyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine
CID 62771903
1-[2-[2-(dimethylamino)ethyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine
CID 113291435
2-[5-[1-(ethylamino)ethyl]-4-methylpyrimidin-2-yl]acetamide
CID 62770494
(1R)-1-[2-(2-ethoxypropan-2-yl)-4-methylpyrimidin-5-yl]ethanol
CID 103431278
1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 116778892
N-ethyl-1-[4-methyl-2-(4-nitrophenyl)pyrimidin-5-yl]ethanamine
CID 62771904

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-methyl-2-(2-phenylpropan-2-yl)pyrimidin-5-yl]ethanamine?
The IUPAC name of N-ethyl-1-[4-methyl-2-(2-phenylpropan-2-yl)pyrimidin-5-yl]ethanamine (CID 63086419) is N-ethyl-1-[4-methyl-2-(2-phenylpropan-2-yl)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[4-methyl-2-(2-phenylpropan-2-yl)pyrimidin-5-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[4-methyl-2-(2-phenylpropan-2-yl)pyrimidin-5-yl]ethanamine is CCNC(C)c1cnc(C(C)(C)c2ccccc2)nc1C.
What is the InChIKey of N-ethyl-1-[4-methyl-2-(2-phenylpropan-2-yl)pyrimidin-5-yl]ethanamine?
The InChIKey is IOXCWRWLLDAUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-6-19-13(2)16-12-20-17(21-14(16)3)18(4,5)15-10-8-7-9-11-15/h7-13,19H,6H2,1-5H3.
What are the key properties of N-ethyl-1-[4-methyl-2-(2-phenylpropan-2-yl)pyrimidin-5-yl]ethanamine?
N-ethyl-1-[4-methyl-2-(2-phenylpropan-2-yl)pyrimidin-5-yl]ethanamine has a molecular weight of 283.42 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-methyl-2-(2-phenylpropan-2-yl)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 63086419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).