N-pyridin-2-yl-4-[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-amine

C23H22N6 — CID 110267405

IUPACN-pyridin-2-yl-4-[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-amine
SMILESc1ccc(Nc2nccc(C3CCCN3Cc3ccc4ncccc4c3)n2)nc1
InChIInChI=1S/C23H22N6/c1-2-11-25-22(7-1)28-23-26-13-10-20(27-23)21-6-4-14-29(21)16-17-8-9-19-18(15-17)5-3-12-24-19/h1-3,5,7-13,15,21H,4,6,14,16H2,(H,25,26,27,28)
InChIKeyWBGDTAVOHUUXPX-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.50
Rot. Bonds5

About N-pyridin-2-yl-4-[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-amine

N-pyridin-2-yl-4-[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-amine (PubChem CID 110267405) has the molecular formula C23H22N6 and a molecular weight of 382.47 g/mol. Its IUPAC name is N-pyridin-2-yl-4-[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-pyridin-2-yl-4-[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-amine
PubChem CID110267405
Molecular FormulaC23H22N6
Molecular Weight382.47 g/mol
Exact Mass382.19
IUPAC NameN-pyridin-2-yl-4-[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-amine
SMILESc1ccc(Nc2nccc(C3CCCN3Cc3ccc4ncccc4c3)n2)nc1
InChIInChI=1S/C23H22N6/c1-2-11-25-22(7-1)28-23-26-13-10-20(27-23)21-6-4-14-29(21)16-17-8-9-19-18(15-17)5-3-12-24-19/h1-3,5,7-13,15,21H,4,6,14,16H2,(H,25,26,27,28)
InChIKeyWBGDTAVOHUUXPX-UHFFFAOYSA-N
XLogP4.50
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine
CID 110267126
N-pyridin-2-yl-4-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-amine
CID 95837564
6-[[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]quinoline
CID 124986639
2-[(2S)-2-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]acetamide
CID 95842902
4-[[(2S)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methyl]phenol
CID 95837810
4-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]-N-pyrimidin-2-ylpyrimidin-2-amine
CID 95837499
cyclopentyl-[2-[2-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110267387
N-[[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62581089
6-[1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]-N-pyridin-2-ylpyridin-2-amine
CID 110265127
4-[(2R)-1-methylsulfonylpiperidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine
CID 95837595
6-[[2-(bromomethyl)piperidin-1-yl]methyl]quinoline
CID 80673665
[1-(quinolin-6-ylmethyl)piperidin-2-yl]methanamine
CID 43209671

Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-4-[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-amine?
The IUPAC name of N-pyridin-2-yl-4-[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-amine (CID 110267405) is N-pyridin-2-yl-4-[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for N-pyridin-2-yl-4-[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-amine?
The canonical SMILES for N-pyridin-2-yl-4-[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-amine is c1ccc(Nc2nccc(C3CCCN3Cc3ccc4ncccc4c3)n2)nc1.
What is the InChIKey of N-pyridin-2-yl-4-[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-amine?
The InChIKey is WBGDTAVOHUUXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6/c1-2-11-25-22(7-1)28-23-26-13-10-20(27-23)21-6-4-14-29(21)16-17-8-9-19-18(15-17)5-3-12-24-19/h1-3,5,7-13,15,21H,4,6,14,16H2,(H,25,26,27,28).
What are the key properties of N-pyridin-2-yl-4-[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-amine?
N-pyridin-2-yl-4-[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-amine has a molecular weight of 382.47 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-4-[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 110267405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).