N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]-5-methyl-6-piperidin-4-yloxypyrimidin-4-amine

C19H27N5O3 — CID 141105746

IUPACN-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]-5-methyl-6-piperidin-4-yloxypyrimidin-4-amine
SMILESCOCCOc1ccc(Nc2ncnc(OC3CCNCC3)c2C)c(C)n1
InChIInChI=1S/C19H27N5O3/c1-13-18(21-12-22-19(13)27-15-6-8-20-9-7-15)24-16-4-5-17(23-14(16)2)26-11-10-25-3/h4-5,12,15,20H,6-11H2,1-3H3,(H,21,22,24)
InChIKeyNKNWOTCWUAUIRO-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.39
Rot. Bonds8

About N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]-5-methyl-6-piperidin-4-yloxypyrimidin-4-amine

N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]-5-methyl-6-piperidin-4-yloxypyrimidin-4-amine (PubChem CID 141105746) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]-5-methyl-6-piperidin-4-yloxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]-5-methyl-6-piperidin-4-yloxypyrimidin-4-amine
PubChem CID141105746
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC NameN-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]-5-methyl-6-piperidin-4-yloxypyrimidin-4-amine
SMILESCOCCOc1ccc(Nc2ncnc(OC3CCNCC3)c2C)c(C)n1
InChIInChI=1S/C19H27N5O3/c1-13-18(21-12-22-19(13)27-15-6-8-20-9-7-15)24-16-4-5-17(23-14(16)2)26-11-10-25-3/h4-5,12,15,20H,6-11H2,1-3H3,(H,21,22,24)
InChIKeyNKNWOTCWUAUIRO-UHFFFAOYSA-N
XLogP2.39
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-bromo-2-methyl-3-pyridinyl)-5-methoxy-6-piperidin-4-yloxypyrimidin-4-amine
CID 162178686
N-[4-(2-ethoxyethoxy)-2-fluorophenyl]-5-methyl-6-piperidin-4-yloxypyrimidin-4-amine
CID 154229187
5-methyl-4,6-di(piperidin-4-yloxy)pyrimidine
CID 58484436
5-methoxy-N-(2-methyl-6-propylsulfonyl-3-pyridinyl)-6-piperidin-4-yloxypyrimidin-4-amine;2-methylpropanoic acid
CID 158189450
4-[6-[2-fluoro-4-(2-methoxyethoxy)anilino]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 66896012
4-[[6-(2-methoxyethylsulfonyl)-2-methyl-3-pyridinyl]oxy]-5-methyl-6-piperidin-4-yloxypyrimidine
CID 141186091
4-ethoxy-5-methyl-6-piperidin-4-yloxypyrimidine
CID 66327607
tert-butyl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)amino]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 58487753
propan-2-yl 4-[5-methoxy-6-[[6-(2-methoxyethylamino)-2-methyl-3-pyridinyl]amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11503815
[4-[6-[2,5-difluoro-4-(2-methoxyethoxy)anilino]-5-methylpyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate
CID 68534067
4-[6-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]-5-propoxypyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 141148279
5-methyl-4-piperazin-1-yl-6-piperidin-4-yloxypyrimidine
CID 163866789

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]-5-methyl-6-piperidin-4-yloxypyrimidin-4-amine?
The IUPAC name of N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]-5-methyl-6-piperidin-4-yloxypyrimidin-4-amine (CID 141105746) is N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]-5-methyl-6-piperidin-4-yloxypyrimidin-4-amine.
What is the SMILES notation for N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]-5-methyl-6-piperidin-4-yloxypyrimidin-4-amine?
The canonical SMILES for N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]-5-methyl-6-piperidin-4-yloxypyrimidin-4-amine is COCCOc1ccc(Nc2ncnc(OC3CCNCC3)c2C)c(C)n1.
What is the InChIKey of N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]-5-methyl-6-piperidin-4-yloxypyrimidin-4-amine?
The InChIKey is NKNWOTCWUAUIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-13-18(21-12-22-19(13)27-15-6-8-20-9-7-15)24-16-4-5-17(23-14(16)2)26-11-10-25-3/h4-5,12,15,20H,6-11H2,1-3H3,(H,21,22,24).
What are the key properties of N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]-5-methyl-6-piperidin-4-yloxypyrimidin-4-amine?
N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]-5-methyl-6-piperidin-4-yloxypyrimidin-4-amine has a molecular weight of 373.46 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]-5-methyl-6-piperidin-4-yloxypyrimidin-4-amine is sourced from PubChem (CID 141105746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).