N-[[1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]cyclopropanamine

C14H22N4 — CID 62591990

IUPACN-[[1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]cyclopropanamine
SMILESCCc1cc(N2CCCC2CNC2CC2)ncn1
InChIInChI=1S/C14H22N4/c1-2-11-8-14(17-10-16-11)18-7-3-4-13(18)9-15-12-5-6-12/h8,10,12-13,15H,2-7,9H2,1H3
InChIKeyYOMSPHDAXIJVIP-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.76
Rot. Bonds5

About N-[[1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]cyclopropanamine

N-[[1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]cyclopropanamine (PubChem CID 62591990) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N-[[1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]cyclopropanamine
PubChem CID62591990
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN-[[1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]cyclopropanamine
SMILESCCc1cc(N2CCCC2CNC2CC2)ncn1
InChIInChI=1S/C14H22N4/c1-2-11-8-14(17-10-16-11)18-7-3-4-13(18)9-15-12-5-6-12/h8,10,12-13,15H,2-7,9H2,1H3
InChIKeyYOMSPHDAXIJVIP-UHFFFAOYSA-N
XLogP1.76
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]cyclopropanamine (CID 62591990) is N-[[1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]cyclopropanamine is CCc1cc(N2CCCC2CNC2CC2)ncn1.
What is the InChIKey of N-[[1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]cyclopropanamine?
The InChIKey is YOMSPHDAXIJVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-2-11-8-14(17-10-16-11)18-7-3-4-13(18)9-15-12-5-6-12/h8,10,12-13,15H,2-7,9H2,1H3.
What are the key properties of N-[[1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]cyclopropanamine?
N-[[1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]cyclopropanamine has a molecular weight of 246.36 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62591990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).