1-cyclopropyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine

C13H20N4 — CID 62747897

IUPAC1-cyclopropyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine
SMILESCc1nccc(CNC2CCN(C3CC3)C2)n1
InChIInChI=1S/C13H20N4/c1-10-14-6-4-11(16-10)8-15-12-5-7-17(9-12)13-2-3-13/h4,6,12-13,15H,2-3,5,7-9H2,1H3
InChIKeyBKRVIOKHMLKKGL-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.11
Rot. Bonds4

About 1-cyclopropyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine

1-cyclopropyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine (PubChem CID 62747897) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine
PubChem CID62747897
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name1-cyclopropyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine
SMILESCc1nccc(CNC2CCN(C3CC3)C2)n1
InChIInChI=1S/C13H20N4/c1-10-14-6-4-11(16-10)8-15-12-5-7-17(9-12)13-2-3-13/h4,6,12-13,15H,2-3,5,7-9H2,1H3
InChIKeyBKRVIOKHMLKKGL-UHFFFAOYSA-N
XLogP1.11
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]azepan-4-amine
CID 65069995
N-[(2-methylpyrimidin-4-yl)methyl]cyclohexanamine
CID 60962032
1-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine
CID 61016801
1-(3-methylbut-2-enyl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-amine
CID 61015864
1-cyclopropyl-N-[(6-methoxy-2-pyridinyl)methyl]pyrrolidin-3-amine
CID 63986474
1-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-amine
CID 81170847
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-[(2-methylpyrimidin-4-yl)methyl]cyclobutan-1-amine
CID 61016617
1-cyclopropyl-N-[(4-trimethylsilylphenyl)methyl]pyrrolidin-3-amine
CID 103437727
4-(2-methylbutan-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclohexan-1-amine
CID 60961900
1-cyclopropyl-3-[(2-methylpyrimidin-4-yl)methylamino]pyrrolidine-2,5-dione
CID 54901837

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine (CID 62747897) is 1-cyclopropyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine is Cc1nccc(CNC2CCN(C3CC3)C2)n1.
What is the InChIKey of 1-cyclopropyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine?
The InChIKey is BKRVIOKHMLKKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-10-14-6-4-11(16-10)8-15-12-5-7-17(9-12)13-2-3-13/h4,6,12-13,15H,2-3,5,7-9H2,1H3.
What are the key properties of 1-cyclopropyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine?
1-cyclopropyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine has a molecular weight of 232.33 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 62747897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).