1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]imidazole-2-carbonitrile

C12H12N6 — CID 113388336

IUPAC1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]imidazole-2-carbonitrile
SMILESN#Cc1nccn1-c1ncc(CNC2CC2)cn1
InChIInChI=1S/C12H12N6/c13-5-11-14-3-4-18(11)12-16-7-9(8-17-12)6-15-10-1-2-10/h3-4,7-8,10,15H,1-2,6H2
InChIKeyKLAUUITXADVENK-UHFFFAOYSA-N
MW240.27 g/mol
LogP0.79
Rot. Bonds4

About 1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]imidazole-2-carbonitrile

1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]imidazole-2-carbonitrile (PubChem CID 113388336) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]imidazole-2-carbonitrile.

Molecular Properties

Compound Name1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]imidazole-2-carbonitrile
PubChem CID113388336
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]imidazole-2-carbonitrile
SMILESN#Cc1nccn1-c1ncc(CNC2CC2)cn1
InChIInChI=1S/C12H12N6/c13-5-11-14-3-4-18(11)12-16-7-9(8-17-12)6-15-10-1-2-10/h3-4,7-8,10,15H,1-2,6H2
InChIKeyKLAUUITXADVENK-UHFFFAOYSA-N
XLogP0.79
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]imidazole-2-carbonitrile?
The IUPAC name of 1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]imidazole-2-carbonitrile (CID 113388336) is 1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]imidazole-2-carbonitrile.
What is the SMILES notation for 1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]imidazole-2-carbonitrile?
The canonical SMILES for 1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]imidazole-2-carbonitrile is N#Cc1nccn1-c1ncc(CNC2CC2)cn1.
What is the InChIKey of 1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]imidazole-2-carbonitrile?
The InChIKey is KLAUUITXADVENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6/c13-5-11-14-3-4-18(11)12-16-7-9(8-17-12)6-15-10-1-2-10/h3-4,7-8,10,15H,1-2,6H2.
What are the key properties of 1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]imidazole-2-carbonitrile?
1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]imidazole-2-carbonitrile has a molecular weight of 240.27 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]imidazole-2-carbonitrile is sourced from PubChem (CID 113388336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).