3-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyrazine-2-carbonitrile

C15H18N8 — CID 146075842

IUPAC3-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyrazine-2-carbonitrile
SMILESCNc1cc(N2CCCC2CNc2nccnc2C#N)ncn1
InChIInChI=1S/C15H18N8/c1-17-13-7-14(22-10-21-13)23-6-2-3-11(23)9-20-15-12(8-16)18-4-5-19-15/h4-5,7,10-11H,2-3,6,9H2,1H3,(H,19,20)(H,17,21,22)
InChIKeyOFDFLHVKIZTEEN-UHFFFAOYSA-N
MW310.37 g/mol
LogP1.26
Rot. Bonds5

About 3-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyrazine-2-carbonitrile

3-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyrazine-2-carbonitrile (PubChem CID 146075842) has the molecular formula C15H18N8 and a molecular weight of 310.37 g/mol. Its IUPAC name is 3-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyrazine-2-carbonitrile
PubChem CID146075842
Molecular FormulaC15H18N8
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name3-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyrazine-2-carbonitrile
SMILESCNc1cc(N2CCCC2CNc2nccnc2C#N)ncn1
InChIInChI=1S/C15H18N8/c1-17-13-7-14(22-10-21-13)23-6-2-3-11(23)9-20-15-12(8-16)18-4-5-19-15/h4-5,7,10-11H,2-3,6,9H2,1H3,(H,19,20)(H,17,21,22)
InChIKeyOFDFLHVKIZTEEN-UHFFFAOYSA-N
XLogP1.26
TPSA102.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridazine-3-carbonitrile
CID 146084662
N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-amine
CID 133301785
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
6-methyl-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)pyridazin-3-amine
CID 146088252
N-methyl-6-[2-[(thian-4-ylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 119124051
propan-2-yl 2-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridine-3-carboxylate
CID 133470303
6-[(2S)-2-ethylpiperidin-1-yl]-N-methylpyrimidin-4-amine
CID 129372140
N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-4-pyrazin-2-ylpyrimidin-2-amine
CID 166235375
6-(2-ethylazepan-1-yl)-N-methylpyrimidin-4-amine
CID 104693081
6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridazine-3-carboxamide
CID 146089677
6-[2-[(cyclohex-3-en-1-ylmethylamino)methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 136517302
N-methyl-6-[2-[[(4-methylphenyl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 119127313

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyrazine-2-carbonitrile (CID 146075842) is 3-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyrazine-2-carbonitrile is CNc1cc(N2CCCC2CNc2nccnc2C#N)ncn1.
What is the InChIKey of 3-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyrazine-2-carbonitrile?
The InChIKey is OFDFLHVKIZTEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8/c1-17-13-7-14(22-10-21-13)23-6-2-3-11(23)9-20-15-12(8-16)18-4-5-19-15/h4-5,7,10-11H,2-3,6,9H2,1H3,(H,19,20)(H,17,21,22).
What are the key properties of 3-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyrazine-2-carbonitrile?
3-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyrazine-2-carbonitrile has a molecular weight of 310.37 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 146075842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).