4-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidin-2-amine

C19H26N6 — CID 45220184

IUPAC4-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidin-2-amine
SMILESNc1nccc(N2CCC(C3CCN(Cc4cccnc4)CC3)C2)n1
InChIInChI=1S/C19H26N6/c20-19-22-8-3-18(23-19)25-11-6-17(14-25)16-4-9-24(10-5-16)13-15-2-1-7-21-12-15/h1-3,7-8,12,16-17H,4-6,9-11,13-14H2,(H2,20,22,23)
InChIKeyXGCFQEBCISMOPX-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.19
Rot. Bonds4

About 4-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidin-2-amine

4-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidin-2-amine (PubChem CID 45220184) has the molecular formula C19H26N6 and a molecular weight of 338.46 g/mol. Its IUPAC name is 4-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidin-2-amine
PubChem CID45220184
Molecular FormulaC19H26N6
Molecular Weight338.46 g/mol
Exact Mass338.22
IUPAC Name4-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidin-2-amine
SMILESNc1nccc(N2CCC(C3CCN(Cc4cccnc4)CC3)C2)n1
InChIInChI=1S/C19H26N6/c20-19-22-8-3-18(23-19)25-11-6-17(14-25)16-4-9-24(10-5-16)13-15-2-1-7-21-12-15/h1-3,7-8,12,16-17H,4-6,9-11,13-14H2,(H2,20,22,23)
InChIKeyXGCFQEBCISMOPX-UHFFFAOYSA-N
XLogP2.19
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91916522
4-methyl-2-[(3S)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidine
CID 42394785
4-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]pyrimidin-2-amine
CID 56883222
3-methyl-2-[(3S)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine
CID 42458383
5-ethyl-2-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidine
CID 25289570
4-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-2-amine
CID 59631602
2-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]-1H-benzimidazole
CID 45199332
3-[[4-[(3S)-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]methyl]pyridine
CID 42293192
2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanamine;hydrochloride
CID 17245035
4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidin-2-amine
CID 59631605
1-(2-aminopyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 178108022
1-(pyridin-3-ylmethyl)piperidine-4-carbaldehyde
CID 42556102

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidin-2-amine (CID 45220184) is 4-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidin-2-amine is Nc1nccc(N2CCC(C3CCN(Cc4cccnc4)CC3)C2)n1.
What is the InChIKey of 4-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidin-2-amine?
The InChIKey is XGCFQEBCISMOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6/c20-19-22-8-3-18(23-19)25-11-6-17(14-25)16-4-9-24(10-5-16)13-15-2-1-7-21-12-15/h1-3,7-8,12,16-17H,4-6,9-11,13-14H2,(H2,20,22,23).
What are the key properties of 4-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidin-2-amine?
4-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidin-2-amine has a molecular weight of 338.46 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 45220184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).