5-bromo-N-[6-(4-cyclopropylpiperazin-1-yl)-2-methoxy-3-pyridinyl]pyrimidin-2-amine

C17H21BrN6O — CID 175789064

IUPAC5-bromo-N-[6-(4-cyclopropylpiperazin-1-yl)-2-methoxy-3-pyridinyl]pyrimidin-2-amine
SMILESCOc1nc(N2CCN(C3CC3)CC2)ccc1Nc1ncc(Br)cn1
InChIInChI=1S/C17H21BrN6O/c1-25-16-14(21-17-19-10-12(18)11-20-17)4-5-15(22-16)24-8-6-23(7-9-24)13-2-3-13/h4-5,10-11,13H,2-3,6-9H2,1H3,(H,19,20,21)
InChIKeyQKSXYDONJVJHES-UHFFFAOYSA-N
MW405.30 g/mol
LogP2.67
Rot. Bonds5

About 5-bromo-N-[6-(4-cyclopropylpiperazin-1-yl)-2-methoxy-3-pyridinyl]pyrimidin-2-amine

5-bromo-N-[6-(4-cyclopropylpiperazin-1-yl)-2-methoxy-3-pyridinyl]pyrimidin-2-amine (PubChem CID 175789064) has the molecular formula C17H21BrN6O and a molecular weight of 405.30 g/mol. Its IUPAC name is 5-bromo-N-[6-(4-cyclopropylpiperazin-1-yl)-2-methoxy-3-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[6-(4-cyclopropylpiperazin-1-yl)-2-methoxy-3-pyridinyl]pyrimidin-2-amine
PubChem CID175789064
Molecular FormulaC17H21BrN6O
Molecular Weight405.30 g/mol
Exact Mass404.10
IUPAC Name5-bromo-N-[6-(4-cyclopropylpiperazin-1-yl)-2-methoxy-3-pyridinyl]pyrimidin-2-amine
SMILESCOc1nc(N2CCN(C3CC3)CC2)ccc1Nc1ncc(Br)cn1
InChIInChI=1S/C17H21BrN6O/c1-25-16-14(21-17-19-10-12(18)11-20-17)4-5-15(22-16)24-8-6-23(7-9-24)13-2-3-13/h4-5,10-11,13H,2-3,6-9H2,1H3,(H,19,20,21)
InChIKeyQKSXYDONJVJHES-UHFFFAOYSA-N
XLogP2.67
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[[5-bromo-2-[[2-methoxy-6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-5-fluorophenyl]methanesulfonamide
CID 165395048
6-(4-cyclopentylpiperazin-1-yl)-2-methoxypyridin-3-amine
CID 62368609
N-[2-[[5-chloro-2-[[2-methoxy-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]amino]pyrimidin-4-yl]-methylsulfonylamino]phenyl]methanesulfonamide
CID 165395046
N-[6-[[5-bromo-2-[[2-methoxy-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]amino]pyrimidin-4-yl]amino]quinoxalin-5-yl]-N-ethylmethanesulfonamide
CID 169278082
1-[1-(6-methoxy-5-methyl-2-pyridinyl)piperidin-4-yl]-4-methylpiperazine
CID 175810130
5-bromo-N-[4-(4-cyclopentylpiperazin-1-yl)-2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]pyrimidin-2-amine
CID 166171891
N-[6-[[5-chloro-2-[[2-methoxy-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]amino]pyrimidin-4-yl]amino]quinoxalin-5-yl]-N-cyclopropylmethanesulfonamide
CID 169278212
7-chloro-N-[2-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-8-phenylquinazolin-2-amine
CID 141446251
5-chloro-2-N-[6-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-3-pyridinyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine
CID 155141702
5-bromo-N-(3-methoxy-1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 126505481
2-(4-cyclopropylpiperazin-1-yl)-6-methoxyquinoline;dihydrochloride
CID 11302721
5-bromo-N-[3-(3-methoxypropoxy)-1-(4-morpholin-4-ylcyclohexyl)pyrazol-4-yl]pyrimidin-2-amine
CID 175606593

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[6-(4-cyclopropylpiperazin-1-yl)-2-methoxy-3-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-[6-(4-cyclopropylpiperazin-1-yl)-2-methoxy-3-pyridinyl]pyrimidin-2-amine (CID 175789064) is 5-bromo-N-[6-(4-cyclopropylpiperazin-1-yl)-2-methoxy-3-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-[6-(4-cyclopropylpiperazin-1-yl)-2-methoxy-3-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-[6-(4-cyclopropylpiperazin-1-yl)-2-methoxy-3-pyridinyl]pyrimidin-2-amine is COc1nc(N2CCN(C3CC3)CC2)ccc1Nc1ncc(Br)cn1.
What is the InChIKey of 5-bromo-N-[6-(4-cyclopropylpiperazin-1-yl)-2-methoxy-3-pyridinyl]pyrimidin-2-amine?
The InChIKey is QKSXYDONJVJHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN6O/c1-25-16-14(21-17-19-10-12(18)11-20-17)4-5-15(22-16)24-8-6-23(7-9-24)13-2-3-13/h4-5,10-11,13H,2-3,6-9H2,1H3,(H,19,20,21).
What are the key properties of 5-bromo-N-[6-(4-cyclopropylpiperazin-1-yl)-2-methoxy-3-pyridinyl]pyrimidin-2-amine?
5-bromo-N-[6-(4-cyclopropylpiperazin-1-yl)-2-methoxy-3-pyridinyl]pyrimidin-2-amine has a molecular weight of 405.30 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[6-(4-cyclopropylpiperazin-1-yl)-2-methoxy-3-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 175789064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).