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

C17H22BrN7O — CID 172900765

IUPACN-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESBrc1cnc(N2CCCC(Nc3ccnc(N4CCOCC4)n3)C2)nc1
InChIInChI=1S/C17H22BrN7O/c18-13-10-20-16(21-11-13)25-5-1-2-14(12-25)22-15-3-4-19-17(23-15)24-6-8-26-9-7-24/h3-4,10-11,14H,1-2,5-9,12H2,(H,19,22,23)
InChIKeyMXRKWMPLGPYDQI-UHFFFAOYSA-N
MW420.32 g/mol
LogP1.95
Rot. Bonds4

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

N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 172900765) has the molecular formula C17H22BrN7O and a molecular weight of 420.32 g/mol. Its IUPAC name is N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID172900765
Molecular FormulaC17H22BrN7O
Molecular Weight420.32 g/mol
Exact Mass419.11
IUPAC NameN-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESBrc1cnc(N2CCCC(Nc3ccnc(N4CCOCC4)n3)C2)nc1
InChIInChI=1S/C17H22BrN7O/c18-13-10-20-16(21-11-13)25-5-1-2-14(12-25)22-15-3-4-19-17(23-15)24-6-8-26-9-7-24/h3-4,10-11,14H,1-2,5-9,12H2,(H,19,22,23)
InChIKeyMXRKWMPLGPYDQI-UHFFFAOYSA-N
XLogP1.95
TPSA79.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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-(1-imidazo[1,2-a]pyrazin-8-ylpiperidin-3-yl)-2-morpholin-4-ylpyrimidin-4-amine
CID 172904241
2-morpholin-4-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidin-4-amine
CID 172902099
5-bromo-2-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 172902500
2-morpholin-4-yl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]pyrimidin-4-amine
CID 172900711
N-[1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172903179
2-morpholin-4-yl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidin-4-amine
CID 172902096
N-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901782
2-morpholin-4-yl-N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrimidin-4-amine
CID 175649604
N-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 175648592
2-morpholin-4-yl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperidin-3-yl]pyrimidin-4-amine
CID 172903852

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine (CID 172900765) is N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine is Brc1cnc(N2CCCC(Nc3ccnc(N4CCOCC4)n3)C2)nc1.
What is the InChIKey of N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is MXRKWMPLGPYDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN7O/c18-13-10-20-16(21-11-13)25-5-1-2-14(12-25)22-15-3-4-19-17(23-15)24-6-8-26-9-7-24/h3-4,10-11,14H,1-2,5-9,12H2,(H,19,22,23).
What are the key properties of N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine?
N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 420.32 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 172900765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).