5-methoxy-4-methyl-2-[(3S)-3,4,5-trimethylpiperazin-1-yl]pyrimidine

C13H22N4O — CID 163368076

IUPAC5-methoxy-4-methyl-2-[(3S)-3,4,5-trimethylpiperazin-1-yl]pyrimidine
SMILESCOc1cnc(N2CC(C)N(C)[C@@H](C)C2)nc1C
InChIInChI=1S/C13H22N4O/c1-9-7-17(8-10(2)16(9)4)13-14-6-12(18-5)11(3)15-13/h6,9-10H,7-8H2,1-5H3/t9-,10?/m0/s1
InChIKeyVVZBKWASIPPTAI-RGURZIINSA-N
MW250.35 g/mol
LogP1.32
Rot. Bonds2

About 5-methoxy-4-methyl-2-[(3S)-3,4,5-trimethylpiperazin-1-yl]pyrimidine

5-methoxy-4-methyl-2-[(3S)-3,4,5-trimethylpiperazin-1-yl]pyrimidine (PubChem CID 163368076) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 5-methoxy-4-methyl-2-[(3S)-3,4,5-trimethylpiperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-methoxy-4-methyl-2-[(3S)-3,4,5-trimethylpiperazin-1-yl]pyrimidine
PubChem CID163368076
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name5-methoxy-4-methyl-2-[(3S)-3,4,5-trimethylpiperazin-1-yl]pyrimidine
SMILESCOc1cnc(N2CC(C)N(C)[C@@H](C)C2)nc1C
InChIInChI=1S/C13H22N4O/c1-9-7-17(8-10(2)16(9)4)13-14-6-12(18-5)11(3)15-13/h6,9-10H,7-8H2,1-5H3/t9-,10?/m0/s1
InChIKeyVVZBKWASIPPTAI-RGURZIINSA-N
XLogP1.32
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[5-methoxy-2-[(3R)-3,4,5-trimethylpiperazin-1-yl]pyrimidin-4-yl]azetidine-3-carboxamide
CID 171990740
[2-(3,4-dimethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methanol
CID 83184289
4-methoxy-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-(3,4,5-trimethylpiperazin-1-yl)aniline
CID 138541975
4-methoxy-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]aniline
CID 138541974
[2-(3,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methanol
CID 83185063
2-(3,4-dimethoxypyrrolidin-1-yl)-4-methylpyrimidine-5-carboxylic acid
CID 103534362
(2R,6S)-4-(5-bromo-4-methoxypyrimidin-2-yl)-2,6-dimethylmorpholine
CID 69088090
5-methoxy-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 84665508
1-(5-methoxypyrimidin-2-yl)azetidin-3-ol
CID 118346552
4-(3-bromo-5-methyl-2-pyridinyl)-1,2,6-trimethylpiperazine
CID 105368114
5-bromo-2-(3,4-dimethylpiperidin-1-yl)-4-methoxypyrimidine
CID 103878203
[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methanol
CID 140932759

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-methyl-2-[(3S)-3,4,5-trimethylpiperazin-1-yl]pyrimidine?
The IUPAC name of 5-methoxy-4-methyl-2-[(3S)-3,4,5-trimethylpiperazin-1-yl]pyrimidine (CID 163368076) is 5-methoxy-4-methyl-2-[(3S)-3,4,5-trimethylpiperazin-1-yl]pyrimidine.
What is the SMILES notation for 5-methoxy-4-methyl-2-[(3S)-3,4,5-trimethylpiperazin-1-yl]pyrimidine?
The canonical SMILES for 5-methoxy-4-methyl-2-[(3S)-3,4,5-trimethylpiperazin-1-yl]pyrimidine is COc1cnc(N2CC(C)N(C)[C@@H](C)C2)nc1C.
What is the InChIKey of 5-methoxy-4-methyl-2-[(3S)-3,4,5-trimethylpiperazin-1-yl]pyrimidine?
The InChIKey is VVZBKWASIPPTAI-RGURZIINSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-7-17(8-10(2)16(9)4)13-14-6-12(18-5)11(3)15-13/h6,9-10H,7-8H2,1-5H3/t9-,10?/m0/s1.
What are the key properties of 5-methoxy-4-methyl-2-[(3S)-3,4,5-trimethylpiperazin-1-yl]pyrimidine?
5-methoxy-4-methyl-2-[(3S)-3,4,5-trimethylpiperazin-1-yl]pyrimidine has a molecular weight of 250.35 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-methyl-2-[(3S)-3,4,5-trimethylpiperazin-1-yl]pyrimidine is sourced from PubChem (CID 163368076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).