N-[1-[(5-bromo-2-pyridinyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine

C20H27BrN6O — CID 172881656

IUPACN-[1-[(5-bromo-2-pyridinyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
SMILESCN(c1nccc(N2CCOCC2)n1)C1CCCN(Cc2ccc(Br)cn2)C1
InChIInChI=1S/C20H27BrN6O/c1-25(20-22-7-6-19(24-20)27-9-11-28-12-10-27)18-3-2-8-26(15-18)14-17-5-4-16(21)13-23-17/h4-7,13,18H,2-3,8-12,14-15H2,1H3
InChIKeyOHRGRTWRSVDNSY-UHFFFAOYSA-N
MW447.38 g/mol
LogP2.57
Rot. Bonds5

About N-[1-[(5-bromo-2-pyridinyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine

N-[1-[(5-bromo-2-pyridinyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine (PubChem CID 172881656) has the molecular formula C20H27BrN6O and a molecular weight of 447.38 g/mol. Its IUPAC name is N-[1-[(5-bromo-2-pyridinyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-[(5-bromo-2-pyridinyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
PubChem CID172881656
Molecular FormulaC20H27BrN6O
Molecular Weight447.38 g/mol
Exact Mass446.14
IUPAC NameN-[1-[(5-bromo-2-pyridinyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
SMILESCN(c1nccc(N2CCOCC2)n1)C1CCCN(Cc2ccc(Br)cn2)C1
InChIInChI=1S/C20H27BrN6O/c1-25(20-22-7-6-19(24-20)27-9-11-28-12-10-27)18-3-2-8-26(15-18)14-17-5-4-16(21)13-23-17/h4-7,13,18H,2-3,8-12,14-15H2,1H3
InChIKeyOHRGRTWRSVDNSY-UHFFFAOYSA-N
XLogP2.57
TPSA57.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.38
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[1-[(5-bromo-2-pyridinyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine with MolForge

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Related Compounds

N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
CID 171998821
N-[1-[(2-bromophenyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
CID 171998822
4-N-[1-[(5-bromo-2-pyridinyl)methyl]piperidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 172903582
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-methyl-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
CID 172881742
N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
CID 171996260
N-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
CID 171993904
N-(1-furo[3,2-c]pyridin-4-ylpiperidin-3-yl)-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
CID 171997979
2-[3-[methyl-(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]pyrimidine-4-carbonitrile
CID 171995820
2-[3-[methyl-(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 171994800
N-methyl-N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172903124
N-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172892594

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-bromo-2-pyridinyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of N-[1-[(5-bromo-2-pyridinyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine (CID 172881656) is N-[1-[(5-bromo-2-pyridinyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-[1-[(5-bromo-2-pyridinyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-[1-[(5-bromo-2-pyridinyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine is CN(c1nccc(N2CCOCC2)n1)C1CCCN(Cc2ccc(Br)cn2)C1.
What is the InChIKey of N-[1-[(5-bromo-2-pyridinyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is OHRGRTWRSVDNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27BrN6O/c1-25(20-22-7-6-19(24-20)27-9-11-28-12-10-27)18-3-2-8-26(15-18)14-17-5-4-16(21)13-23-17/h4-7,13,18H,2-3,8-12,14-15H2,1H3.
What are the key properties of N-[1-[(5-bromo-2-pyridinyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine?
N-[1-[(5-bromo-2-pyridinyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 447.38 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-bromo-2-pyridinyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 172881656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).