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

C15H20N8O — CID 146089677

IUPAC6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridazine-3-carboxamide
SMILESCNc1cc(N2CCCC2CNc2ccc(C(N)=O)nn2)ncn1
InChIInChI=1S/C15H20N8O/c1-17-13-7-14(20-9-19-13)23-6-2-3-10(23)8-18-12-5-4-11(15(16)24)21-22-12/h4-5,7,9-10H,2-3,6,8H2,1H3,(H2,16,24)(H,18,22)(H,17,19,20)
InChIKeyAOGVEGKOHRGZCG-UHFFFAOYSA-N
MW328.38 g/mol
LogP0.49
Rot. Bonds6

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

6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridazine-3-carboxamide (PubChem CID 146089677) has the molecular formula C15H20N8O and a molecular weight of 328.38 g/mol. Its IUPAC name is 6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridazine-3-carboxamide
PubChem CID146089677
Molecular FormulaC15H20N8O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC Name6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridazine-3-carboxamide
SMILESCNc1cc(N2CCCC2CNc2ccc(C(N)=O)nn2)ncn1
InChIInChI=1S/C15H20N8O/c1-17-13-7-14(20-9-19-13)23-6-2-3-10(23)8-18-12-5-4-11(15(16)24)21-22-12/h4-5,7,9-10H,2-3,6,8H2,1H3,(H2,16,24)(H,18,22)(H,17,19,20)
InChIKeyAOGVEGKOHRGZCG-UHFFFAOYSA-N
XLogP0.49
TPSA121.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 50.49
H-Bond Donors ≤ 53
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,N-dimethyl-6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridine-3-carboxamide
CID 146087317
N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-amine
CID 133301785
(2S)-2-[[(2R)-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]-2-phenylacetamide
CID 95764406
(2R)-2-[[(2S)-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]-2-phenylacetamide
CID 100838473
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
3,3-difluoro-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]butanamide
CID 136536244
N-methyl-6-[2-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 146089483
propan-2-yl 2-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridine-3-carboxylate
CID 133470303
N-methyl-4-[[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]methyl]benzamide
CID 119126315
N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 146106903
3-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyrazine-2-carbonitrile
CID 146075842

Frequently Asked Questions

What is the IUPAC name of 6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridazine-3-carboxamide?
The IUPAC name of 6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridazine-3-carboxamide (CID 146089677) is 6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridazine-3-carboxamide is CNc1cc(N2CCCC2CNc2ccc(C(N)=O)nn2)ncn1.
What is the InChIKey of 6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridazine-3-carboxamide?
The InChIKey is AOGVEGKOHRGZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N8O/c1-17-13-7-14(20-9-19-13)23-6-2-3-10(23)8-18-12-5-4-11(15(16)24)21-22-12/h4-5,7,9-10H,2-3,6,8H2,1H3,(H2,16,24)(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-carboxamide?
6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridazine-3-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 0.49, 6 rotatable bonds, 3 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-carboxamide is sourced from PubChem (CID 146089677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).