N-[cyclobutyl(pyrimidin-2-yl)methyl]-N-methylpropan-2-amine

C13H21N3 — CID 176763782

IUPACN-[cyclobutyl(pyrimidin-2-yl)methyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)C(c1ncccn1)C1CCC1
InChIInChI=1S/C13H21N3/c1-10(2)16(3)12(11-6-4-7-11)13-14-8-5-9-15-13/h5,8-12H,4,6-7H2,1-3H3
InChIKeyWLGJMFIDUVGLCB-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.66
Rot. Bonds4

About N-[cyclobutyl(pyrimidin-2-yl)methyl]-N-methylpropan-2-amine

N-[cyclobutyl(pyrimidin-2-yl)methyl]-N-methylpropan-2-amine (PubChem CID 176763782) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[cyclobutyl(pyrimidin-2-yl)methyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[cyclobutyl(pyrimidin-2-yl)methyl]-N-methylpropan-2-amine
PubChem CID176763782
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-[cyclobutyl(pyrimidin-2-yl)methyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)C(c1ncccn1)C1CCC1
InChIInChI=1S/C13H21N3/c1-10(2)16(3)12(11-6-4-7-11)13-14-8-5-9-15-13/h5,8-12H,4,6-7H2,1-3H3
InChIKeyWLGJMFIDUVGLCB-UHFFFAOYSA-N
XLogP2.66
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-di(cyclobutyl)-1-pyrimidin-2-ylethanamine
CID 165485023
N-(1-cyclobutylethyl)pyrimidin-2-amine
CID 115766758
cyclohexyl(pyrimidin-2-yl)methanol
CID 60798580
3-[(cyclopropylamino)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine
CID 62284786
N-[cycloheptyl(pyrimidin-2-yl)methyl]ethanamine
CID 82932188
1-[2-[cycloheptyl(methyl)amino]-3-pyridinyl]ethanol
CID 114055853
2-cyclobutylpyrimidine
CID 18329571
2-[(1S)-1-cyclohexylethyl]pyridine
CID 130409266
[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methanol
CID 61252621
2-chloro-N-(1-cyclopentylethyl)pyridin-3-amine
CID 62633166
[cyclobutyl-(3-methyl-2-pyridinyl)methyl]hydrazine
CID 105209352
N-(1-cyclobutylethyl)-3-methylsulfonylpyridin-2-amine
CID 114599099

Frequently Asked Questions

What is the IUPAC name of N-[cyclobutyl(pyrimidin-2-yl)methyl]-N-methylpropan-2-amine?
The IUPAC name of N-[cyclobutyl(pyrimidin-2-yl)methyl]-N-methylpropan-2-amine (CID 176763782) is N-[cyclobutyl(pyrimidin-2-yl)methyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[cyclobutyl(pyrimidin-2-yl)methyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[cyclobutyl(pyrimidin-2-yl)methyl]-N-methylpropan-2-amine is CC(C)N(C)C(c1ncccn1)C1CCC1.
What is the InChIKey of N-[cyclobutyl(pyrimidin-2-yl)methyl]-N-methylpropan-2-amine?
The InChIKey is WLGJMFIDUVGLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-10(2)16(3)12(11-6-4-7-11)13-14-8-5-9-15-13/h5,8-12H,4,6-7H2,1-3H3.
What are the key properties of N-[cyclobutyl(pyrimidin-2-yl)methyl]-N-methylpropan-2-amine?
N-[cyclobutyl(pyrimidin-2-yl)methyl]-N-methylpropan-2-amine has a molecular weight of 219.33 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclobutyl(pyrimidin-2-yl)methyl]-N-methylpropan-2-amine is sourced from PubChem (CID 176763782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).