3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine

C18H24N6 — CID 110271613

IUPAC3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine
SMILESc1cnc(N2CCCC(Cc3ccc(N4CCCC4)nn3)C2)nc1
InChIInChI=1S/C18H24N6/c1-2-11-23(10-1)17-7-6-16(21-22-17)13-15-5-3-12-24(14-15)18-19-8-4-9-20-18/h4,6-9,15H,1-3,5,10-14H2
InChIKeyZMAPIFZABRHCDH-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.33
Rot. Bonds4

About 3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine

3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine (PubChem CID 110271613) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is 3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine.

Molecular Properties

Compound Name3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine
PubChem CID110271613
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC Name3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine
SMILESc1cnc(N2CCCC(Cc3ccc(N4CCCC4)nn3)C2)nc1
InChIInChI=1S/C18H24N6/c1-2-11-23(10-1)17-7-6-16(21-22-17)13-15-5-3-12-24(14-15)18-19-8-4-9-20-18/h4,6-9,15H,1-3,5,10-14H2
InChIKeyZMAPIFZABRHCDH-UHFFFAOYSA-N
XLogP2.33
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]pyridazin-3-yl]morpholine
CID 95847079
3-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]-6-pyrrolidin-1-ylpyridazine
CID 95847107
2-amino-1-[3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone
CID 110271601
6-[[(3R)-1-pyridin-2-ylpiperidin-3-yl]methyl]pyridazin-3-amine
CID 95847067
3-[(1-methylpiperidin-4-yl)methyl]-6-pyrrolidin-1-ylpyridazine
CID 95846220
1-[4-[6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazin-3-yl]piperazin-1-yl]ethanone
CID 95846960
1H-pyrazol-5-yl-[(3S)-3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]methanone
CID 124948806
2-(1-pyrimidin-2-ylpiperidin-3-yl)acetic acid
CID 62690962
2-[3-(2-bromoethyl)piperidin-1-yl]pyrimidine
CID 80679402
5-methyl-3-[[(3S)-3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95847144
1-[6-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridazin-3-yl]piperidine-4-carboxamide
CID 95846984
N-methyl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyrazin-2-amine
CID 110095069

Frequently Asked Questions

What is the IUPAC name of 3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine?
The IUPAC name of 3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine (CID 110271613) is 3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine.
What is the SMILES notation for 3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine?
The canonical SMILES for 3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine is c1cnc(N2CCCC(Cc3ccc(N4CCCC4)nn3)C2)nc1.
What is the InChIKey of 3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine?
The InChIKey is ZMAPIFZABRHCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6/c1-2-11-23(10-1)17-7-6-16(21-22-17)13-15-5-3-12-24(14-15)18-19-8-4-9-20-18/h4,6-9,15H,1-3,5,10-14H2.
What are the key properties of 3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine?
3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine has a molecular weight of 324.43 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine is sourced from PubChem (CID 110271613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).