3-(4-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclobutan-1-amine

C17H21N3 — CID 61016617

IUPAC3-(4-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclobutan-1-amine
SMILESCc1ccc(C2CC(NCc3ccnc(C)n3)C2)cc1
InChIInChI=1S/C17H21N3/c1-12-3-5-14(6-4-12)15-9-17(10-15)19-11-16-7-8-18-13(2)20-16/h3-8,15,17,19H,9-11H2,1-2H3
InChIKeySFIRBECWEBLMHL-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.13
Rot. Bonds4

About 3-(4-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclobutan-1-amine

3-(4-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclobutan-1-amine (PubChem CID 61016617) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclobutan-1-amine
PubChem CID61016617
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name3-(4-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclobutan-1-amine
SMILESCc1ccc(C2CC(NCc3ccnc(C)n3)C2)cc1
InChIInChI=1S/C17H21N3/c1-12-3-5-14(6-4-12)15-9-17(10-15)19-11-16-7-8-18-13(2)20-16/h3-8,15,17,19H,9-11H2,1-2H3
InChIKeySFIRBECWEBLMHL-UHFFFAOYSA-N
XLogP3.13
TPSA37.81 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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylpyrimidin-4-yl)methyl]cyclohexanamine
CID 60962032
3-(4-methylphenyl)-N-(pyridazin-3-ylmethyl)cyclobutan-1-amine
CID 106895177
9-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471994
N-[(2-methylpyrimidin-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 62748227
3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclobutan-1-amine
CID 62997224
1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]azepan-4-amine
CID 65069995
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine
CID 103096808
3-(4-methylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclobutan-1-amine
CID 114955168
1-(3-methylbut-2-enyl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-amine
CID 61015864
1-cyclopropyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine
CID 62747897
4-(2-methylbutan-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclohexan-1-amine
CID 60961900
3-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine
CID 62322840

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-(4-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclobutan-1-amine (CID 61016617) is 3-(4-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(4-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-(4-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclobutan-1-amine is Cc1ccc(C2CC(NCc3ccnc(C)n3)C2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclobutan-1-amine?
The InChIKey is SFIRBECWEBLMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-12-3-5-14(6-4-12)15-9-17(10-15)19-11-16-7-8-18-13(2)20-16/h3-8,15,17,19H,9-11H2,1-2H3.
What are the key properties of 3-(4-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclobutan-1-amine?
3-(4-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclobutan-1-amine has a molecular weight of 267.38 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 61016617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).