N-methyl-4-pyridin-3-yl-N-[(5-thiophen-2-ylpyrazolidin-3-yl)methyl]pyrimidin-2-amine

C18H20N6S — CID 134127926

IUPACN-methyl-4-pyridin-3-yl-N-[(5-thiophen-2-ylpyrazolidin-3-yl)methyl]pyrimidin-2-amine
SMILESCN(CC1CC(c2cccs2)NN1)c1nccc(-c2cccnc2)n1
InChIInChI=1S/C18H20N6S/c1-24(12-14-10-16(23-22-14)17-5-3-9-25-17)18-20-8-6-15(21-18)13-4-2-7-19-11-13/h2-9,11,14,16,22-23H,10,12H2,1H3
InChIKeyURAVDTCHYMOLTQ-UHFFFAOYSA-N
MW352.47 g/mol
LogP2.64
Rot. Bonds5

About N-methyl-4-pyridin-3-yl-N-[(5-thiophen-2-ylpyrazolidin-3-yl)methyl]pyrimidin-2-amine

N-methyl-4-pyridin-3-yl-N-[(5-thiophen-2-ylpyrazolidin-3-yl)methyl]pyrimidin-2-amine (PubChem CID 134127926) has the molecular formula C18H20N6S and a molecular weight of 352.47 g/mol. Its IUPAC name is N-methyl-4-pyridin-3-yl-N-[(5-thiophen-2-ylpyrazolidin-3-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-4-pyridin-3-yl-N-[(5-thiophen-2-ylpyrazolidin-3-yl)methyl]pyrimidin-2-amine
PubChem CID134127926
Molecular FormulaC18H20N6S
Molecular Weight352.47 g/mol
Exact Mass352.15
IUPAC NameN-methyl-4-pyridin-3-yl-N-[(5-thiophen-2-ylpyrazolidin-3-yl)methyl]pyrimidin-2-amine
SMILESCN(CC1CC(c2cccs2)NN1)c1nccc(-c2cccnc2)n1
InChIInChI=1S/C18H20N6S/c1-24(12-14-10-16(23-22-14)17-5-3-9-25-17)18-20-8-6-15(21-18)13-4-2-7-19-11-13/h2-9,11,14,16,22-23H,10,12H2,1H3
InChIKeyURAVDTCHYMOLTQ-UHFFFAOYSA-N
XLogP2.64
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.47
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-methyl-4-pyridin-3-yl-N-[(5-thiophen-2-ylpyrazolidin-3-yl)methyl]pyrimidin-2-amine with MolForge

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Related Compounds

N-methyl-4-pyridin-3-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidin-2-amine
CID 74233572
N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 134081034
3-[methyl-(4-pyridin-3-ylpyrimidin-2-yl)amino]-1-phenylpropan-1-ol
CID 72845904
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-4-pyridin-3-ylpyrimidin-2-amine
CID 72852948
2-[(1-methylpiperazin-2-yl)methyl]-4-pyridin-3-ylpyrimidine
CID 116901957
N-benzoyl-N-(4-pyridin-3-ylpyrimidin-2-yl)benzamide
CID 46224440
2-(4-methylpiperazin-1-yl)-4-pyridin-3-ylpyrimidine
CID 44613762
1-(5-pyridin-3-yl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone
CID 13205628
N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 70724833
N-methyl-4-(4-pyridin-3-ylpyrimidin-2-yl)cyclohexan-1-amine
CID 116899139
2,6-dipyridin-3-ylpyridine
CID 13349632
4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-2-thiophen-2-ylmorpholine
CID 133363568

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-pyridin-3-yl-N-[(5-thiophen-2-ylpyrazolidin-3-yl)methyl]pyrimidin-2-amine?
The IUPAC name of N-methyl-4-pyridin-3-yl-N-[(5-thiophen-2-ylpyrazolidin-3-yl)methyl]pyrimidin-2-amine (CID 134127926) is N-methyl-4-pyridin-3-yl-N-[(5-thiophen-2-ylpyrazolidin-3-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for N-methyl-4-pyridin-3-yl-N-[(5-thiophen-2-ylpyrazolidin-3-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for N-methyl-4-pyridin-3-yl-N-[(5-thiophen-2-ylpyrazolidin-3-yl)methyl]pyrimidin-2-amine is CN(CC1CC(c2cccs2)NN1)c1nccc(-c2cccnc2)n1.
What is the InChIKey of N-methyl-4-pyridin-3-yl-N-[(5-thiophen-2-ylpyrazolidin-3-yl)methyl]pyrimidin-2-amine?
The InChIKey is URAVDTCHYMOLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6S/c1-24(12-14-10-16(23-22-14)17-5-3-9-25-17)18-20-8-6-15(21-18)13-4-2-7-19-11-13/h2-9,11,14,16,22-23H,10,12H2,1H3.
What are the key properties of N-methyl-4-pyridin-3-yl-N-[(5-thiophen-2-ylpyrazolidin-3-yl)methyl]pyrimidin-2-amine?
N-methyl-4-pyridin-3-yl-N-[(5-thiophen-2-ylpyrazolidin-3-yl)methyl]pyrimidin-2-amine has a molecular weight of 352.47 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-pyridin-3-yl-N-[(5-thiophen-2-ylpyrazolidin-3-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 134127926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).