N-[[4-(3-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine

C13H20N4 — CID 114216062

IUPACN-[[4-(3-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
SMILESCC1CCN(c2ncncc2CNC2CC2)C1
InChIInChI=1S/C13H20N4/c1-10-4-5-17(8-10)13-11(6-14-9-16-13)7-15-12-2-3-12/h6,9-10,12,15H,2-5,7-8H2,1H3
InChIKeyQJSDEIQKXASYBI-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.57
Rot. Bonds4

About N-[[4-(3-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine

N-[[4-(3-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine (PubChem CID 114216062) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[[4-(3-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(3-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
PubChem CID114216062
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC NameN-[[4-(3-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
SMILESCC1CCN(c2ncncc2CNC2CC2)C1
InChIInChI=1S/C13H20N4/c1-10-4-5-17(8-10)13-11(6-14-9-16-13)7-15-12-2-3-12/h6,9-10,12,15H,2-5,7-8H2,1H3
InChIKeyQJSDEIQKXASYBI-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(3-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine (CID 114216062) is N-[[4-(3-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(3-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(3-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine is CC1CCN(c2ncncc2CNC2CC2)C1.
What is the InChIKey of N-[[4-(3-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine?
The InChIKey is QJSDEIQKXASYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-10-4-5-17(8-10)13-11(6-14-9-16-13)7-15-12-2-3-12/h6,9-10,12,15H,2-5,7-8H2,1H3.
What are the key properties of N-[[4-(3-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine?
N-[[4-(3-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine has a molecular weight of 232.33 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114216062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).