5-bromo-N-[4-[(3R)-3-fluoropyrrolidin-1-yl]cyclohexyl]quinazolin-2-amine

C18H22BrFN4 — CID 169156201

IUPAC5-bromo-N-[4-[(3R)-3-fluoropyrrolidin-1-yl]cyclohexyl]quinazolin-2-amine
SMILESF[C@@H]1CCN(C2CCC(Nc3ncc4c(Br)cccc4n3)CC2)C1
InChIInChI=1S/C18H22BrFN4/c19-16-2-1-3-17-15(16)10-21-18(23-17)22-13-4-6-14(7-5-13)24-9-8-12(20)11-24/h1-3,10,12-14H,4-9,11H2,(H,21,22,23)/t12-,13?,14?/m1/s1
InChIKeyXYVUMKWXGBUTST-IYXRBSQSSA-N
MW393.30 g/mol
LogP4.16
Rot. Bonds3

About 5-bromo-N-[4-[(3R)-3-fluoropyrrolidin-1-yl]cyclohexyl]quinazolin-2-amine

5-bromo-N-[4-[(3R)-3-fluoropyrrolidin-1-yl]cyclohexyl]quinazolin-2-amine (PubChem CID 169156201) has the molecular formula C18H22BrFN4 and a molecular weight of 393.30 g/mol. Its IUPAC name is 5-bromo-N-[4-[(3R)-3-fluoropyrrolidin-1-yl]cyclohexyl]quinazolin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[4-[(3R)-3-fluoropyrrolidin-1-yl]cyclohexyl]quinazolin-2-amine
PubChem CID169156201
Molecular FormulaC18H22BrFN4
Molecular Weight393.30 g/mol
Exact Mass392.10
IUPAC Name5-bromo-N-[4-[(3R)-3-fluoropyrrolidin-1-yl]cyclohexyl]quinazolin-2-amine
SMILESF[C@@H]1CCN(C2CCC(Nc3ncc4c(Br)cccc4n3)CC2)C1
InChIInChI=1S/C18H22BrFN4/c19-16-2-1-3-17-15(16)10-21-18(23-17)22-13-4-6-14(7-5-13)24-9-8-12(20)11-24/h1-3,10,12-14H,4-9,11H2,(H,21,22,23)/t12-,13?,14?/m1/s1
InChIKeyXYVUMKWXGBUTST-IYXRBSQSSA-N
XLogP4.16
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.30
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-cyclopropylquinazolin-2-amine
CID 165498561
5-bromo-N-(1-cyclopropylpyrrolidin-3-yl)isoquinolin-1-amine
CID 106538206
[6-bromo-4-[[4-[(3R)-3-fluoropyrrolidin-1-yl]cyclohexyl]amino]quinolin-3-yl]-cyclopropylmethanone
CID 86692887
2,5-dibromoquinazoline
CID 130132273
5-bromo-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 140800582
6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfanylamino]-2,6-difluorophenyl]-N-[4-(3-fluoropyrrolidin-1-yl)cyclohexyl]quinazolin-2-amine
CID 169156237
5-bromo-2-(cyclopropylamino)pyrimidine-4-carboxylic acid
CID 83844239
4-(azepan-1-yl)-N-[(3S)-1-cyclohexylazepan-3-yl]quinazolin-2-amine
CID 66904161
2-N,3-N-bis(1-cyclopropylpiperidin-4-yl)pyrido[2,3-b]pyrazine-2,3-diamine
CID 133373343
1-[4-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]piperidine-4-carboxamide
CID 172592698
N-(1-cyclopropylpiperidin-4-yl)-5-phenyl-1,3-thiazol-2-amine
CID 133369991
1-[4-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclohexyl]piperidin-4-ol
CID 90389778

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[(3R)-3-fluoropyrrolidin-1-yl]cyclohexyl]quinazolin-2-amine?
The IUPAC name of 5-bromo-N-[4-[(3R)-3-fluoropyrrolidin-1-yl]cyclohexyl]quinazolin-2-amine (CID 169156201) is 5-bromo-N-[4-[(3R)-3-fluoropyrrolidin-1-yl]cyclohexyl]quinazolin-2-amine.
What is the SMILES notation for 5-bromo-N-[4-[(3R)-3-fluoropyrrolidin-1-yl]cyclohexyl]quinazolin-2-amine?
The canonical SMILES for 5-bromo-N-[4-[(3R)-3-fluoropyrrolidin-1-yl]cyclohexyl]quinazolin-2-amine is F[C@@H]1CCN(C2CCC(Nc3ncc4c(Br)cccc4n3)CC2)C1.
What is the InChIKey of 5-bromo-N-[4-[(3R)-3-fluoropyrrolidin-1-yl]cyclohexyl]quinazolin-2-amine?
The InChIKey is XYVUMKWXGBUTST-IYXRBSQSSA-N. The full InChI is InChI=1S/C18H22BrFN4/c19-16-2-1-3-17-15(16)10-21-18(23-17)22-13-4-6-14(7-5-13)24-9-8-12(20)11-24/h1-3,10,12-14H,4-9,11H2,(H,21,22,23)/t12-,13?,14?/m1/s1.
What are the key properties of 5-bromo-N-[4-[(3R)-3-fluoropyrrolidin-1-yl]cyclohexyl]quinazolin-2-amine?
5-bromo-N-[4-[(3R)-3-fluoropyrrolidin-1-yl]cyclohexyl]quinazolin-2-amine has a molecular weight of 393.30 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[(3R)-3-fluoropyrrolidin-1-yl]cyclohexyl]quinazolin-2-amine is sourced from PubChem (CID 169156201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).