4-methoxy-6-methyl-2-[(3R)-3-methylpiperazin-1-yl]pyrimidine

C11H18N4O — CID 104976163

IUPAC4-methoxy-6-methyl-2-[(3R)-3-methylpiperazin-1-yl]pyrimidine
SMILESCOc1cc(C)nc(N2CCN[C@H](C)C2)n1
InChIInChI=1S/C11H18N4O/c1-8-6-10(16-3)14-11(13-8)15-5-4-12-9(2)7-15/h6,9,12H,4-5,7H2,1-3H3/t9-/m1/s1
InChIKeyFJWHNSQWDCOQCJ-SECBINFHSA-N
MW222.29 g/mol
LogP0.59
Rot. Bonds2

About 4-methoxy-6-methyl-2-[(3R)-3-methylpiperazin-1-yl]pyrimidine

4-methoxy-6-methyl-2-[(3R)-3-methylpiperazin-1-yl]pyrimidine (PubChem CID 104976163) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-methoxy-6-methyl-2-[(3R)-3-methylpiperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methoxy-6-methyl-2-[(3R)-3-methylpiperazin-1-yl]pyrimidine
PubChem CID104976163
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-methoxy-6-methyl-2-[(3R)-3-methylpiperazin-1-yl]pyrimidine
SMILESCOc1cc(C)nc(N2CCN[C@H](C)C2)n1
InChIInChI=1S/C11H18N4O/c1-8-6-10(16-3)14-11(13-8)15-5-4-12-9(2)7-15/h6,9,12H,4-5,7H2,1-3H3/t9-/m1/s1
InChIKeyFJWHNSQWDCOQCJ-SECBINFHSA-N
XLogP0.59
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dimethoxy-2-[(3S)-3-methylpiperazin-1-yl]pyrimidine
CID 96913861
2-(2,5-dimethylpiperazin-1-yl)-4-methoxy-6-methylpyrimidine
CID 112634968
2-methyl-4,6-bis(3-methylpiperazin-1-yl)-1,3,5-triazine
CID 58012607
1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 112634329
4-methyl-2-(3-methylpiperazin-1-yl)pyrimidine;hydrochloride
CID 71639412
(2R)-4-(4,6-dimethylpyrimidin-2-yl)piperazine-2-carboxylic acid
CID 97176235
1-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]-N-methylmethanamine
CID 112634860
2-[4-(1-bromoethyl)piperidin-1-yl]-4-methoxy-6-methylpyrimidine
CID 106838651
2-(chloromethyl)-4-(4-methoxy-6-methylpyrimidin-2-yl)-6-methylmorpholine
CID 102937027
methyl 4-methyl-6-[(3R)-3-methylpiperazin-1-yl]pyrimidine-2-carboxylate
CID 104976159
5-methyl-2-[(3S)-3-methylpiperazin-1-yl]pyrimidine
CID 104977378
1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(4-methylcyclohexyl)piperidine-3-carboxamide
CID 649779

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-2-[(3R)-3-methylpiperazin-1-yl]pyrimidine?
The IUPAC name of 4-methoxy-6-methyl-2-[(3R)-3-methylpiperazin-1-yl]pyrimidine (CID 104976163) is 4-methoxy-6-methyl-2-[(3R)-3-methylpiperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-methoxy-6-methyl-2-[(3R)-3-methylpiperazin-1-yl]pyrimidine?
The canonical SMILES for 4-methoxy-6-methyl-2-[(3R)-3-methylpiperazin-1-yl]pyrimidine is COc1cc(C)nc(N2CCN[C@H](C)C2)n1.
What is the InChIKey of 4-methoxy-6-methyl-2-[(3R)-3-methylpiperazin-1-yl]pyrimidine?
The InChIKey is FJWHNSQWDCOQCJ-SECBINFHSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-6-10(16-3)14-11(13-8)15-5-4-12-9(2)7-15/h6,9,12H,4-5,7H2,1-3H3/t9-/m1/s1.
What are the key properties of 4-methoxy-6-methyl-2-[(3R)-3-methylpiperazin-1-yl]pyrimidine?
4-methoxy-6-methyl-2-[(3R)-3-methylpiperazin-1-yl]pyrimidine has a molecular weight of 222.29 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-2-[(3R)-3-methylpiperazin-1-yl]pyrimidine is sourced from PubChem (CID 104976163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).