N-(1-furo[3,2-c]pyridin-4-ylpiperidin-3-yl)-N-methyl-4-morpholin-4-ylpyrimidin-2-amine

C21H26N6O2 — CID 171997979

IUPACN-(1-furo[3,2-c]pyridin-4-ylpiperidin-3-yl)-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
SMILESCN(c1nccc(N2CCOCC2)n1)C1CCCN(c2nccc3occc23)C1
InChIInChI=1S/C21H26N6O2/c1-25(21-23-8-5-19(24-21)26-10-13-28-14-11-26)16-3-2-9-27(15-16)20-17-6-12-29-18(17)4-7-22-20/h4-8,12,16H,2-3,9-11,13-15H2,1H3
InChIKeyRPBSUOGQVSJYIH-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.56
Rot. Bonds4

About N-(1-furo[3,2-c]pyridin-4-ylpiperidin-3-yl)-N-methyl-4-morpholin-4-ylpyrimidin-2-amine

N-(1-furo[3,2-c]pyridin-4-ylpiperidin-3-yl)-N-methyl-4-morpholin-4-ylpyrimidin-2-amine (PubChem CID 171997979) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-(1-furo[3,2-c]pyridin-4-ylpiperidin-3-yl)-N-methyl-4-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-furo[3,2-c]pyridin-4-ylpiperidin-3-yl)-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
PubChem CID171997979
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC NameN-(1-furo[3,2-c]pyridin-4-ylpiperidin-3-yl)-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
SMILESCN(c1nccc(N2CCOCC2)n1)C1CCCN(c2nccc3occc23)C1
InChIInChI=1S/C21H26N6O2/c1-25(21-23-8-5-19(24-21)26-10-13-28-14-11-26)16-3-2-9-27(15-16)20-17-6-12-29-18(17)4-7-22-20/h4-8,12,16H,2-3,9-11,13-15H2,1H3
InChIKeyRPBSUOGQVSJYIH-UHFFFAOYSA-N
XLogP2.56
TPSA70.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-[methyl-(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 171994800
N-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
CID 171993904
2-[3-[methyl-(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]pyrimidine-4-carbonitrile
CID 171995820
N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
CID 171998821
N-methyl-N-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
CID 171995870
N-[1-[(2-bromophenyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
CID 171998822
N-methyl-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
CID 172881742
N-[1-[(5-bromo-2-pyridinyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
CID 172881656
N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
CID 171996260
4-(3-bromopyrrolidin-1-yl)furo[3,2-c]pyridine
CID 106535691
4-(3-chloro-4-methylpiperidin-1-yl)furo[3,2-c]pyridine
CID 106535762
4-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]furo[3,2-c]pyridine
CID 165433903

Frequently Asked Questions

What is the IUPAC name of N-(1-furo[3,2-c]pyridin-4-ylpiperidin-3-yl)-N-methyl-4-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of N-(1-furo[3,2-c]pyridin-4-ylpiperidin-3-yl)-N-methyl-4-morpholin-4-ylpyrimidin-2-amine (CID 171997979) is N-(1-furo[3,2-c]pyridin-4-ylpiperidin-3-yl)-N-methyl-4-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-(1-furo[3,2-c]pyridin-4-ylpiperidin-3-yl)-N-methyl-4-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-(1-furo[3,2-c]pyridin-4-ylpiperidin-3-yl)-N-methyl-4-morpholin-4-ylpyrimidin-2-amine is CN(c1nccc(N2CCOCC2)n1)C1CCCN(c2nccc3occc23)C1.
What is the InChIKey of N-(1-furo[3,2-c]pyridin-4-ylpiperidin-3-yl)-N-methyl-4-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is RPBSUOGQVSJYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-25(21-23-8-5-19(24-21)26-10-13-28-14-11-26)16-3-2-9-27(15-16)20-17-6-12-29-18(17)4-7-22-20/h4-8,12,16H,2-3,9-11,13-15H2,1H3.
What are the key properties of N-(1-furo[3,2-c]pyridin-4-ylpiperidin-3-yl)-N-methyl-4-morpholin-4-ylpyrimidin-2-amine?
N-(1-furo[3,2-c]pyridin-4-ylpiperidin-3-yl)-N-methyl-4-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 394.48 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-furo[3,2-c]pyridin-4-ylpiperidin-3-yl)-N-methyl-4-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 171997979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).