N-(6-bromo-2-methyl-3-pyridinyl)-5-methoxy-6-piperidin-4-yloxypyrimidin-4-amine

C16H20BrN5O2 — CID 162178686

IUPACN-(6-bromo-2-methyl-3-pyridinyl)-5-methoxy-6-piperidin-4-yloxypyrimidin-4-amine
SMILESCOc1c(Nc2ccc(Br)nc2C)ncnc1OC1CCNCC1
InChIInChI=1S/C16H20BrN5O2/c1-10-12(3-4-13(17)21-10)22-15-14(23-2)16(20-9-19-15)24-11-5-7-18-8-6-11/h3-4,9,11,18H,5-8H2,1-2H3,(H,19,20,22)
InChIKeyNXCLAZGLYHOIMP-UHFFFAOYSA-N
MW394.27 g/mol
LogP2.83
Rot. Bonds5

About N-(6-bromo-2-methyl-3-pyridinyl)-5-methoxy-6-piperidin-4-yloxypyrimidin-4-amine

N-(6-bromo-2-methyl-3-pyridinyl)-5-methoxy-6-piperidin-4-yloxypyrimidin-4-amine (PubChem CID 162178686) has the molecular formula C16H20BrN5O2 and a molecular weight of 394.27 g/mol. Its IUPAC name is N-(6-bromo-2-methyl-3-pyridinyl)-5-methoxy-6-piperidin-4-yloxypyrimidin-4-amine.

Molecular Properties

Compound NameN-(6-bromo-2-methyl-3-pyridinyl)-5-methoxy-6-piperidin-4-yloxypyrimidin-4-amine
PubChem CID162178686
Molecular FormulaC16H20BrN5O2
Molecular Weight394.27 g/mol
Exact Mass393.08
IUPAC NameN-(6-bromo-2-methyl-3-pyridinyl)-5-methoxy-6-piperidin-4-yloxypyrimidin-4-amine
SMILESCOc1c(Nc2ccc(Br)nc2C)ncnc1OC1CCNCC1
InChIInChI=1S/C16H20BrN5O2/c1-10-12(3-4-13(17)21-10)22-15-14(23-2)16(20-9-19-15)24-11-5-7-18-8-6-11/h3-4,9,11,18H,5-8H2,1-2H3,(H,19,20,22)
InChIKeyNXCLAZGLYHOIMP-UHFFFAOYSA-N
XLogP2.83
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-N-(2-methyl-6-propylsulfonyl-3-pyridinyl)-6-piperidin-4-yloxypyrimidin-4-amine;2-methylpropanoic acid
CID 158189450
N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]-5-methyl-6-piperidin-4-yloxypyrimidin-4-amine
CID 141105746
4-iodo-5-methoxy-6-piperidin-4-yloxypyrimidine
CID 88897202
propan-2-yl 4-[5-methoxy-6-[(2-methyl-6-propan-2-ylsulfonyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11613117
5-methyl-4,6-di(piperidin-4-yloxy)pyrimidine
CID 58484436
5-N-(5-methoxy-6-piperidin-4-yloxypyrimidin-4-yl)-2-N-(2-methylsulfonylethyl)pyridine-2,5-diamine
CID 69294283
propan-2-yl 4-[5-methoxy-6-[(2-methyl-6-propylsulfanyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11648576
propan-2-yl 4-[5-methoxy-6-[(2-methyl-6-propylsulfonyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11547948
propan-2-yl 4-[5-methoxy-6-[[6-(2-methoxyethylamino)-2-methyl-3-pyridinyl]amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11503815
propan-2-yl 7-[6-[(2,6-dimethyl-3-pyridinyl)amino]-5-methoxypyrimidin-4-yl]oxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 58415045
N-[4-(2-ethoxyethoxy)-2-fluorophenyl]-5-methyl-6-piperidin-4-yloxypyrimidin-4-amine
CID 154229187
aminomethylidene-[[5-[[5-methoxy-6-(1-propan-2-yloxycarbonylpiperidin-4-yl)oxypyrimidin-4-yl]amino]-6-methyl-2-pyridinyl]iminomethyl]azanium
CID 143605902

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-5-methoxy-6-piperidin-4-yloxypyrimidin-4-amine?
The IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-5-methoxy-6-piperidin-4-yloxypyrimidin-4-amine (CID 162178686) is N-(6-bromo-2-methyl-3-pyridinyl)-5-methoxy-6-piperidin-4-yloxypyrimidin-4-amine.
What is the SMILES notation for N-(6-bromo-2-methyl-3-pyridinyl)-5-methoxy-6-piperidin-4-yloxypyrimidin-4-amine?
The canonical SMILES for N-(6-bromo-2-methyl-3-pyridinyl)-5-methoxy-6-piperidin-4-yloxypyrimidin-4-amine is COc1c(Nc2ccc(Br)nc2C)ncnc1OC1CCNCC1.
What is the InChIKey of N-(6-bromo-2-methyl-3-pyridinyl)-5-methoxy-6-piperidin-4-yloxypyrimidin-4-amine?
The InChIKey is NXCLAZGLYHOIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN5O2/c1-10-12(3-4-13(17)21-10)22-15-14(23-2)16(20-9-19-15)24-11-5-7-18-8-6-11/h3-4,9,11,18H,5-8H2,1-2H3,(H,19,20,22).
What are the key properties of N-(6-bromo-2-methyl-3-pyridinyl)-5-methoxy-6-piperidin-4-yloxypyrimidin-4-amine?
N-(6-bromo-2-methyl-3-pyridinyl)-5-methoxy-6-piperidin-4-yloxypyrimidin-4-amine has a molecular weight of 394.27 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-methyl-3-pyridinyl)-5-methoxy-6-piperidin-4-yloxypyrimidin-4-amine is sourced from PubChem (CID 162178686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).