2-[4-(methylaminomethyl)piperidin-1-yl]pyrimidine-4-carbonitrile

C12H17N5 — CID 107552490

IUPAC2-[4-(methylaminomethyl)piperidin-1-yl]pyrimidine-4-carbonitrile
SMILESCNCC1CCN(c2nccc(C#N)n2)CC1
InChIInChI=1S/C12H17N5/c1-14-9-10-3-6-17(7-4-10)12-15-5-2-11(8-13)16-12/h2,5,10,14H,3-4,6-7,9H2,1H3
InChIKeyYZEYEYHGOZGRJX-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.78
Rot. Bonds3

About 2-[4-(methylaminomethyl)piperidin-1-yl]pyrimidine-4-carbonitrile

2-[4-(methylaminomethyl)piperidin-1-yl]pyrimidine-4-carbonitrile (PubChem CID 107552490) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[4-(methylaminomethyl)piperidin-1-yl]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-(methylaminomethyl)piperidin-1-yl]pyrimidine-4-carbonitrile
PubChem CID107552490
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name2-[4-(methylaminomethyl)piperidin-1-yl]pyrimidine-4-carbonitrile
SMILESCNCC1CCN(c2nccc(C#N)n2)CC1
InChIInChI=1S/C12H17N5/c1-14-9-10-3-6-17(7-4-10)12-15-5-2-11(8-13)16-12/h2,5,10,14H,3-4,6-7,9H2,1H3
InChIKeyYZEYEYHGOZGRJX-UHFFFAOYSA-N
XLogP0.78
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-[4-(methylaminomethyl)piperidin-1-yl]pyrimidine-4-carbonitrile
CID 107552489
2-(4-ethoxypiperidin-1-yl)pyrimidine-4-carbonitrile
CID 107543802
2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile
CID 107543268
N-methyl-1-[(3R)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine
CID 169170213
N-[[1-(4-cyanopyrimidin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 172881312
1-[1-(4-ethylpyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 156651528
2-(3,4-dimethoxypyrrolidin-1-yl)pyrimidine-4-carbonitrile
CID 107545460
2-(3-methoxypiperidin-1-yl)pyrimidine-4-carbonitrile
CID 107545426
2-[3-(fluoromethyl)piperidin-1-yl]pyrimidine-4-carbonitrile
CID 155941665
2-[3-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yloxymethyl)pyrrolidin-1-yl]pyrimidine-4-carbonitrile
CID 155974429
1-(4-cyanopyrimidin-2-yl)azetidine-3-carboxylic acid
CID 107542992
N-methyl-2-[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-4-yl]ethanamine
CID 115975402

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylaminomethyl)piperidin-1-yl]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[4-(methylaminomethyl)piperidin-1-yl]pyrimidine-4-carbonitrile (CID 107552490) is 2-[4-(methylaminomethyl)piperidin-1-yl]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[4-(methylaminomethyl)piperidin-1-yl]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[4-(methylaminomethyl)piperidin-1-yl]pyrimidine-4-carbonitrile is CNCC1CCN(c2nccc(C#N)n2)CC1.
What is the InChIKey of 2-[4-(methylaminomethyl)piperidin-1-yl]pyrimidine-4-carbonitrile?
The InChIKey is YZEYEYHGOZGRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-14-9-10-3-6-17(7-4-10)12-15-5-2-11(8-13)16-12/h2,5,10,14H,3-4,6-7,9H2,1H3.
What are the key properties of 2-[4-(methylaminomethyl)piperidin-1-yl]pyrimidine-4-carbonitrile?
2-[4-(methylaminomethyl)piperidin-1-yl]pyrimidine-4-carbonitrile has a molecular weight of 231.30 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylaminomethyl)piperidin-1-yl]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107552490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).