2-(4-propan-2-ylphenyl)-2-pyrimidin-2-ylethanamine

C15H19N3 — CID 116833801

IUPAC2-(4-propan-2-ylphenyl)-2-pyrimidin-2-ylethanamine
SMILESCC(C)c1ccc(C(CN)c2ncccn2)cc1
InChIInChI=1S/C15H19N3/c1-11(2)12-4-6-13(7-5-12)14(10-16)15-17-8-3-9-18-15/h3-9,11,14H,10,16H2,1-2H3
InChIKeyQRKZRWCVVDCQOG-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.69
Rot. Bonds4

About 2-(4-propan-2-ylphenyl)-2-pyrimidin-2-ylethanamine

2-(4-propan-2-ylphenyl)-2-pyrimidin-2-ylethanamine (PubChem CID 116833801) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenyl)-2-pyrimidin-2-ylethanamine.

Molecular Properties

Compound Name2-(4-propan-2-ylphenyl)-2-pyrimidin-2-ylethanamine
PubChem CID116833801
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2-(4-propan-2-ylphenyl)-2-pyrimidin-2-ylethanamine
SMILESCC(C)c1ccc(C(CN)c2ncccn2)cc1
InChIInChI=1S/C15H19N3/c1-11(2)12-4-6-13(7-5-12)14(10-16)15-17-8-3-9-18-15/h3-9,11,14H,10,16H2,1-2H3
InChIKeyQRKZRWCVVDCQOG-UHFFFAOYSA-N
XLogP2.69
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyridin-4-yl-2-pyrimidin-2-ylethanamine
CID 116833880
2-(4-methoxyphenyl)-2-pyrimidin-2-ylethanamine
CID 82040389
2-(3,4-dichlorophenyl)-2-pyrimidin-2-ylethanamine
CID 75357405
2-(1H-imidazol-2-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 116834796
2-(1-methylimidazol-2-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 116834930
2-(1,3-benzoxazol-6-yl)-2-pyrimidin-2-ylethanamine
CID 116833862
2-(5-ethyl-2-methoxyphenyl)-2-pyrimidin-2-ylethanamine
CID 116833839
5-(2-amino-1-pyrimidin-2-ylethyl)-1-methyl-3H-indol-2-one
CID 116833836
2-phenyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 62884547
3-phenyl-2-(4-propan-2-ylphenyl)butan-1-amine
CID 82140241
dimethyl-bis(4-propan-2-ylphenyl)silane
CID 59523824
2-(4-fluorophenyl)-2-pyridin-2-ylethanamine
CID 82040232

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenyl)-2-pyrimidin-2-ylethanamine?
The IUPAC name of 2-(4-propan-2-ylphenyl)-2-pyrimidin-2-ylethanamine (CID 116833801) is 2-(4-propan-2-ylphenyl)-2-pyrimidin-2-ylethanamine.
What is the SMILES notation for 2-(4-propan-2-ylphenyl)-2-pyrimidin-2-ylethanamine?
The canonical SMILES for 2-(4-propan-2-ylphenyl)-2-pyrimidin-2-ylethanamine is CC(C)c1ccc(C(CN)c2ncccn2)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenyl)-2-pyrimidin-2-ylethanamine?
The InChIKey is QRKZRWCVVDCQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-11(2)12-4-6-13(7-5-12)14(10-16)15-17-8-3-9-18-15/h3-9,11,14H,10,16H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylphenyl)-2-pyrimidin-2-ylethanamine?
2-(4-propan-2-ylphenyl)-2-pyrimidin-2-ylethanamine has a molecular weight of 241.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenyl)-2-pyrimidin-2-ylethanamine is sourced from PubChem (CID 116833801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).