1-[4-[4-(2-methylpropyl)phenyl]pyrimidin-2-yl]cyclopropan-1-amine

C17H21N3 — CID 116903535

IUPAC1-[4-[4-(2-methylpropyl)phenyl]pyrimidin-2-yl]cyclopropan-1-amine
SMILESCC(C)Cc1ccc(-c2ccnc(C3(N)CC3)n2)cc1
InChIInChI=1S/C17H21N3/c1-12(2)11-13-3-5-14(6-4-13)15-7-10-19-16(20-15)17(18)8-9-17/h3-7,10,12H,8-9,11,18H2,1-2H3
InChIKeyIQNZGDYTWUDQMI-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.29
Rot. Bonds4

About 1-[4-[4-(2-methylpropyl)phenyl]pyrimidin-2-yl]cyclopropan-1-amine

1-[4-[4-(2-methylpropyl)phenyl]pyrimidin-2-yl]cyclopropan-1-amine (PubChem CID 116903535) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 1-[4-[4-(2-methylpropyl)phenyl]pyrimidin-2-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[4-[4-(2-methylpropyl)phenyl]pyrimidin-2-yl]cyclopropan-1-amine
PubChem CID116903535
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name1-[4-[4-(2-methylpropyl)phenyl]pyrimidin-2-yl]cyclopropan-1-amine
SMILESCC(C)Cc1ccc(-c2ccnc(C3(N)CC3)n2)cc1
InChIInChI=1S/C17H21N3/c1-12(2)11-13-3-5-14(6-4-13)15-7-10-19-16(20-15)17(18)8-9-17/h3-7,10,12H,8-9,11,18H2,1-2H3
InChIKeyIQNZGDYTWUDQMI-UHFFFAOYSA-N
XLogP3.29
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[4-[4-(2-methylpropyl)phenyl]pyrimidin-2-yl]methanamine
CID 116897459
1-[4-(3-methylphenyl)pyrimidin-2-yl]cyclopropan-1-amine
CID 116903584
1-(4-pyridin-2-ylpyrimidin-2-yl)cyclopropan-1-amine
CID 116903588
1-[[4-(2-methylpropyl)phenyl]methyl]cyclopropan-1-amine
CID 116932038
3-[4-(2-methylpropyl)phenyl]-1,2-oxazole
CID 26597218
3-tert-butyl-2-methyl-6-[4-(2-methylpropyl)phenyl]pyridine
CID 140943602
4-methyl-6-[4-(2-methylpropyl)phenyl]pyrimidine-2-carboxamide
CID 116897049
1-cyclopenta-1,4-dien-1-yl-4-(2-methylpropyl)benzene
CID 147554829
2-(4-methylphenyl)-5-(2-methylpropyl)pyridine
CID 71106004
5-ethyl-4-methyl-2-[4-(2-methylpropyl)phenyl]pyridine
CID 163857972
2-chloro-4-[3-(2-methylpropyl)phenyl]pyrimidine
CID 116546024
[1-[4-(3,4-dimethylphenyl)pyrimidin-2-yl]cyclobutyl]methanamine
CID 116902677

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-methylpropyl)phenyl]pyrimidin-2-yl]cyclopropan-1-amine?
The IUPAC name of 1-[4-[4-(2-methylpropyl)phenyl]pyrimidin-2-yl]cyclopropan-1-amine (CID 116903535) is 1-[4-[4-(2-methylpropyl)phenyl]pyrimidin-2-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[4-[4-(2-methylpropyl)phenyl]pyrimidin-2-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[4-[4-(2-methylpropyl)phenyl]pyrimidin-2-yl]cyclopropan-1-amine is CC(C)Cc1ccc(-c2ccnc(C3(N)CC3)n2)cc1.
What is the InChIKey of 1-[4-[4-(2-methylpropyl)phenyl]pyrimidin-2-yl]cyclopropan-1-amine?
The InChIKey is IQNZGDYTWUDQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-12(2)11-13-3-5-14(6-4-13)15-7-10-19-16(20-15)17(18)8-9-17/h3-7,10,12H,8-9,11,18H2,1-2H3.
What are the key properties of 1-[4-[4-(2-methylpropyl)phenyl]pyrimidin-2-yl]cyclopropan-1-amine?
1-[4-[4-(2-methylpropyl)phenyl]pyrimidin-2-yl]cyclopropan-1-amine has a molecular weight of 267.38 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-methylpropyl)phenyl]pyrimidin-2-yl]cyclopropan-1-amine is sourced from PubChem (CID 116903535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).