6-[methyl(1H-pyrrol-3-ylmethyl)amino]pyrimidine-4-carbonitrile

C11H11N5 — CID 115143006

IUPAC6-[methyl(1H-pyrrol-3-ylmethyl)amino]pyrimidine-4-carbonitrile
SMILESCN(Cc1cc[nH]c1)c1cc(C#N)ncn1
InChIInChI=1S/C11H11N5/c1-16(7-9-2-3-13-6-9)11-4-10(5-12)14-8-15-11/h2-4,6,8,13H,7H2,1H3
InChIKeyZMCFJMGYHXFDTL-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.31
Rot. Bonds3

About 6-[methyl(1H-pyrrol-3-ylmethyl)amino]pyrimidine-4-carbonitrile

6-[methyl(1H-pyrrol-3-ylmethyl)amino]pyrimidine-4-carbonitrile (PubChem CID 115143006) has the molecular formula C11H11N5 and a molecular weight of 213.24 g/mol. Its IUPAC name is 6-[methyl(1H-pyrrol-3-ylmethyl)amino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-[methyl(1H-pyrrol-3-ylmethyl)amino]pyrimidine-4-carbonitrile
PubChem CID115143006
Molecular FormulaC11H11N5
Molecular Weight213.24 g/mol
Exact Mass213.10
IUPAC Name6-[methyl(1H-pyrrol-3-ylmethyl)amino]pyrimidine-4-carbonitrile
SMILESCN(Cc1cc[nH]c1)c1cc(C#N)ncn1
InChIInChI=1S/C11H11N5/c1-16(7-9-2-3-13-6-9)11-4-10(5-12)14-8-15-11/h2-4,6,8,13H,7H2,1H3
InChIKeyZMCFJMGYHXFDTL-UHFFFAOYSA-N
XLogP1.31
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[methyl-[(4-methylphenyl)methyl]amino]pyrimidine-4-carbonitrile
CID 115142979
6-[(4-methoxyphenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115142987
6-[(3-fluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115143017
2-[[6-[methyl(1H-pyrrol-3-ylmethyl)amino]pyrimidin-4-yl]amino]ethanethiol
CID 115264438
6-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile
CID 130173820
6-[(2,5-difluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115143001
6-[(2-fluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115143016
6-[(5-bromothiophen-2-yl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115142996
4-amino-3-[methyl(1H-pyrrol-3-ylmethyl)amino]benzonitrile
CID 115127301
6-[1-hydroxypropan-2-yl(methyl)amino]pyrimidine-4-carbonitrile
CID 130173875
2-[methyl(1H-pyrrol-3-ylmethyl)amino]-1H-indole-3-carbonitrile
CID 115146409
6-[tert-butyl(methyl)amino]pyrimidine-4-carbonitrile
CID 115142786

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(1H-pyrrol-3-ylmethyl)amino]pyrimidine-4-carbonitrile?
The IUPAC name of 6-[methyl(1H-pyrrol-3-ylmethyl)amino]pyrimidine-4-carbonitrile (CID 115143006) is 6-[methyl(1H-pyrrol-3-ylmethyl)amino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-[methyl(1H-pyrrol-3-ylmethyl)amino]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-[methyl(1H-pyrrol-3-ylmethyl)amino]pyrimidine-4-carbonitrile is CN(Cc1cc[nH]c1)c1cc(C#N)ncn1.
What is the InChIKey of 6-[methyl(1H-pyrrol-3-ylmethyl)amino]pyrimidine-4-carbonitrile?
The InChIKey is ZMCFJMGYHXFDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5/c1-16(7-9-2-3-13-6-9)11-4-10(5-12)14-8-15-11/h2-4,6,8,13H,7H2,1H3.
What are the key properties of 6-[methyl(1H-pyrrol-3-ylmethyl)amino]pyrimidine-4-carbonitrile?
6-[methyl(1H-pyrrol-3-ylmethyl)amino]pyrimidine-4-carbonitrile has a molecular weight of 213.24 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(1H-pyrrol-3-ylmethyl)amino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 115143006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).