6-[methyl-(1-methylpyrrolidin-3-yl)amino]pyrimidine-4-carbonitrile

C11H15N5 — CID 115142881

IUPAC6-[methyl-(1-methylpyrrolidin-3-yl)amino]pyrimidine-4-carbonitrile
SMILESCN1CCC(N(C)c2cc(C#N)ncn2)C1
InChIInChI=1S/C11H15N5/c1-15-4-3-10(7-15)16(2)11-5-9(6-12)13-8-14-11/h5,8,10H,3-4,7H2,1-2H3
InChIKeyGNVHSHRWUWGLHE-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.49
Rot. Bonds2

About 6-[methyl-(1-methylpyrrolidin-3-yl)amino]pyrimidine-4-carbonitrile

6-[methyl-(1-methylpyrrolidin-3-yl)amino]pyrimidine-4-carbonitrile (PubChem CID 115142881) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 6-[methyl-(1-methylpyrrolidin-3-yl)amino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-[methyl-(1-methylpyrrolidin-3-yl)amino]pyrimidine-4-carbonitrile
PubChem CID115142881
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name6-[methyl-(1-methylpyrrolidin-3-yl)amino]pyrimidine-4-carbonitrile
SMILESCN1CCC(N(C)c2cc(C#N)ncn2)C1
InChIInChI=1S/C11H15N5/c1-15-4-3-10(7-15)16(2)11-5-9(6-12)13-8-14-11/h5,8,10H,3-4,7H2,1-2H3
InChIKeyGNVHSHRWUWGLHE-UHFFFAOYSA-N
XLogP0.49
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[methyl-(1-methylpyrrolidin-3-yl)amino]pyrimidine-4-carbonitrile?
The IUPAC name of 6-[methyl-(1-methylpyrrolidin-3-yl)amino]pyrimidine-4-carbonitrile (CID 115142881) is 6-[methyl-(1-methylpyrrolidin-3-yl)amino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-[methyl-(1-methylpyrrolidin-3-yl)amino]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-[methyl-(1-methylpyrrolidin-3-yl)amino]pyrimidine-4-carbonitrile is CN1CCC(N(C)c2cc(C#N)ncn2)C1.
What is the InChIKey of 6-[methyl-(1-methylpyrrolidin-3-yl)amino]pyrimidine-4-carbonitrile?
The InChIKey is GNVHSHRWUWGLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-15-4-3-10(7-15)16(2)11-5-9(6-12)13-8-14-11/h5,8,10H,3-4,7H2,1-2H3.
What are the key properties of 6-[methyl-(1-methylpyrrolidin-3-yl)amino]pyrimidine-4-carbonitrile?
6-[methyl-(1-methylpyrrolidin-3-yl)amino]pyrimidine-4-carbonitrile has a molecular weight of 217.28 g/mol, XLogP of 0.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-(1-methylpyrrolidin-3-yl)amino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 115142881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).