2-pyrrolidin-1-yl-4-[[(3S)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyrimidine

C19H31N5 — CID 51505424

IUPAC2-pyrrolidin-1-yl-4-[[(3S)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyrimidine
SMILESc1cc(CN2CCC[C@@H](CN3CCCC3)C2)nc(N2CCCC2)n1
InChIInChI=1S/C19H31N5/c1-2-10-22(9-1)14-17-6-5-11-23(15-17)16-18-7-8-20-19(21-18)24-12-3-4-13-24/h7-8,17H,1-6,9-16H2/t17-/m0/s1
InChIKeyZOPDEUNGAOEXKJ-KRWDZBQOSA-N
MW329.49 g/mol
LogP2.38
Rot. Bonds5

About 2-pyrrolidin-1-yl-4-[[(3S)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyrimidine

2-pyrrolidin-1-yl-4-[[(3S)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyrimidine (PubChem CID 51505424) has the molecular formula C19H31N5 and a molecular weight of 329.49 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-4-[[(3S)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-4-[[(3S)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyrimidine
PubChem CID51505424
Molecular FormulaC19H31N5
Molecular Weight329.49 g/mol
Exact Mass329.26
IUPAC Name2-pyrrolidin-1-yl-4-[[(3S)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyrimidine
SMILESc1cc(CN2CCC[C@@H](CN3CCCC3)C2)nc(N2CCCC2)n1
InChIInChI=1S/C19H31N5/c1-2-10-22(9-1)14-17-6-5-11-23(15-17)16-18-7-8-20-19(21-18)24-12-3-4-13-24/h7-8,17H,1-6,9-16H2/t17-/m0/s1
InChIKeyZOPDEUNGAOEXKJ-KRWDZBQOSA-N
XLogP2.38
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-pyrrolidin-1-yl-4-[[(3S)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-3-yl]methyl]pyrrolidin-2-one
CID 46967162
4-[[(2R)-2-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
CID 51590087
4-[[(3S)-1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]methyl]morpholine
CID 97318478
4-[[1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]methyl]morpholine
CID 75422646
4-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
CID 51614940
4-[4-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]pyrimidin-2-yl]morpholine
CID 92612884
azepan-1-yl-[(3R)-1-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperidin-3-yl]methanone
CID 92612882
1-[(1-ethylpiperidin-3-yl)methyl]-4-pyrimidin-2-yl-1,4-diazepane
CID 77087702
4-[[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-2-yl]methyl]morpholine
CID 46967160
4-[3-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine
CID 70748577
N-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-4-yl]cyclopentanecarboxamide
CID 46967148
[2-(azepan-1-yl)pyrimidin-4-yl]methanol
CID 62749376

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-4-[[(3S)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyrimidine?
The IUPAC name of 2-pyrrolidin-1-yl-4-[[(3S)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyrimidine (CID 51505424) is 2-pyrrolidin-1-yl-4-[[(3S)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 2-pyrrolidin-1-yl-4-[[(3S)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyrimidine?
The canonical SMILES for 2-pyrrolidin-1-yl-4-[[(3S)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyrimidine is c1cc(CN2CCC[C@@H](CN3CCCC3)C2)nc(N2CCCC2)n1.
What is the InChIKey of 2-pyrrolidin-1-yl-4-[[(3S)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyrimidine?
The InChIKey is ZOPDEUNGAOEXKJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H31N5/c1-2-10-22(9-1)14-17-6-5-11-23(15-17)16-18-7-8-20-19(21-18)24-12-3-4-13-24/h7-8,17H,1-6,9-16H2/t17-/m0/s1.
What are the key properties of 2-pyrrolidin-1-yl-4-[[(3S)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyrimidine?
2-pyrrolidin-1-yl-4-[[(3S)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyrimidine has a molecular weight of 329.49 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-4-[[(3S)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 51505424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).