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

C18H24BrN5O2 — CID 172903179

IUPACN-[1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESBrc1ccc(CN2CCCC(Nc3ccnc(N4CCOCC4)n3)C2)o1
InChIInChI=1S/C18H24BrN5O2/c19-16-4-3-15(26-16)13-23-7-1-2-14(12-23)21-17-5-6-20-18(22-17)24-8-10-25-11-9-24/h3-6,14H,1-2,7-13H2,(H,20,21,22)
InChIKeyJCGFVGHKVDOLCD-UHFFFAOYSA-N
MW422.33 g/mol
LogP2.75
Rot. Bonds5

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

N-[1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 172903179) has the molecular formula C18H24BrN5O2 and a molecular weight of 422.33 g/mol. Its IUPAC name is N-[1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID172903179
Molecular FormulaC18H24BrN5O2
Molecular Weight422.33 g/mol
Exact Mass421.11
IUPAC NameN-[1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESBrc1ccc(CN2CCCC(Nc3ccnc(N4CCOCC4)n3)C2)o1
InChIInChI=1S/C18H24BrN5O2/c19-16-4-3-15(26-16)13-23-7-1-2-14(12-23)21-17-5-6-20-18(22-17)24-8-10-25-11-9-24/h3-6,14H,1-2,7-13H2,(H,20,21,22)
InChIKeyJCGFVGHKVDOLCD-UHFFFAOYSA-N
XLogP2.75
TPSA66.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-morpholin-4-yl-N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrimidin-4-amine
CID 175649604
N-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172902467
N-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901047
N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172900765
N-[1-[(2-chloro-3-methoxyphenyl)methyl]piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172903863
N-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172903374
N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901044
2-morpholin-4-yl-N-[1-(oxan-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172901310
N-(1-imidazo[1,2-a]pyrazin-8-ylpiperidin-3-yl)-2-morpholin-4-ylpyrimidin-4-amine
CID 172904241
2-morpholin-4-yl-N-(1-pyrazin-2-ylpiperidin-3-yl)pyrimidin-4-amine
CID 172899981
N-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 175649260
N-cyclopropyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine
CID 117078978

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine (CID 172903179) is N-[1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine is Brc1ccc(CN2CCCC(Nc3ccnc(N4CCOCC4)n3)C2)o1.
What is the InChIKey of N-[1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is JCGFVGHKVDOLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrN5O2/c19-16-4-3-15(26-16)13-23-7-1-2-14(12-23)21-17-5-6-20-18(22-17)24-8-10-25-11-9-24/h3-6,14H,1-2,7-13H2,(H,20,21,22).
What are the key properties of N-[1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine?
N-[1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 422.33 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 172903179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).