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

C15H18N8 — CID 146084662

IUPAC6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridazine-3-carbonitrile
SMILESCNc1cc(N2CCCC2CNc2ccc(C#N)nn2)ncn1
InChIInChI=1S/C15H18N8/c1-17-14-7-15(20-10-19-14)23-6-2-3-12(23)9-18-13-5-4-11(8-16)21-22-13/h4-5,7,10,12H,2-3,6,9H2,1H3,(H,18,22)(H,17,19,20)
InChIKeyOZZUEYALLPOERJ-UHFFFAOYSA-N
MW310.37 g/mol
LogP1.26
Rot. Bonds5

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

6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridazine-3-carbonitrile (PubChem CID 146084662) has the molecular formula C15H18N8 and a molecular weight of 310.37 g/mol. Its IUPAC name is 6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridazine-3-carbonitrile
PubChem CID146084662
Molecular FormulaC15H18N8
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridazine-3-carbonitrile
SMILESCNc1cc(N2CCCC2CNc2ccc(C#N)nn2)ncn1
InChIInChI=1S/C15H18N8/c1-17-14-7-15(20-10-19-14)23-6-2-3-12(23)9-18-13-5-4-11(8-16)21-22-13/h4-5,7,10,12H,2-3,6,9H2,1H3,(H,18,22)(H,17,19,20)
InChIKeyOZZUEYALLPOERJ-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-carboxamide
CID 146089677
3-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyrazine-2-carbonitrile
CID 146075842
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
N,N-dimethyl-6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridine-3-carboxamide
CID 146087317
N-methyl-6-[2-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 146089483
N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 146106903
6-[(2S)-2-[(4-bromophenoxy)methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 166382446
N-methyl-6-[2-[[(4-methylphenyl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 119127313
6-[(2S)-2-ethylpiperidin-1-yl]-N-methylpyrimidin-4-amine
CID 129372140
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

Frequently Asked Questions

What is the IUPAC name of 6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridazine-3-carbonitrile?
The IUPAC name of 6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridazine-3-carbonitrile (CID 146084662) is 6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridazine-3-carbonitrile is CNc1cc(N2CCCC2CNc2ccc(C#N)nn2)ncn1.
What is the InChIKey of 6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridazine-3-carbonitrile?
The InChIKey is OZZUEYALLPOERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8/c1-17-14-7-15(20-10-19-14)23-6-2-3-12(23)9-18-13-5-4-11(8-16)21-22-13/h4-5,7,10,12H,2-3,6,9H2,1H3,(H,18,22)(H,17,19,20).
What are the key properties of 6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridazine-3-carbonitrile?
6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridazine-3-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 6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridazine-3-carbonitrile is sourced from PubChem (CID 146084662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).