4,6-dimethoxy-2-(4-methylpiperazin-1-yl)pyrimidine

C11H18N4O2 — CID 4101454

IUPAC4,6-dimethoxy-2-(4-methylpiperazin-1-yl)pyrimidine
SMILESCOc1cc(OC)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C11H18N4O2/c1-14-4-6-15(7-5-14)11-12-9(16-2)8-10(13-11)17-3/h8H,4-7H2,1-3H3
InChIKeyXKKSPCZZHRFHHL-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.25
Rot. Bonds3

About 4,6-dimethoxy-2-(4-methylpiperazin-1-yl)pyrimidine

4,6-dimethoxy-2-(4-methylpiperazin-1-yl)pyrimidine (PubChem CID 4101454) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4,6-dimethoxy-2-(4-methylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4,6-dimethoxy-2-(4-methylpiperazin-1-yl)pyrimidine
PubChem CID4101454
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name4,6-dimethoxy-2-(4-methylpiperazin-1-yl)pyrimidine
SMILESCOc1cc(OC)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C11H18N4O2/c1-14-4-6-15(7-5-14)11-12-9(16-2)8-10(13-11)17-3/h8H,4-7H2,1-3H3
InChIKeyXKKSPCZZHRFHHL-UHFFFAOYSA-N
XLogP0.25
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-Amino-4,6-dimethoxypyrimidine
CID 118946
2,4,6-Trimethoxypyrimidine
CID 726938
2-Chloro-4,6-dimethoxypyrimidine
CID 5152323
4,6-Dimethoxy-2-piperidin-1-ylpyrimidine
CID 90342172
4,6-Dimethoxy-2-pyrrolidin-1-ylpyrimidine
CID 90342261
N'-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylmethanimidamide
CID 9583216
4,6-Dimethoxy-2-(piperazin-1-ylmethyl)pyrimidine
CID 2736218
4,6-Dimethoxy-2-piperidin-4-ylpyrimidine
CID 2761142
4-Methoxy-6-(piperazin-1-yl)pyrimidine
CID 45789017
4-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylpiperazine-1-sulfonamide
CID 25269752
4-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethyl-3,5-dioxopiperazine-1-sulfonamide
CID 25269754
4-Methoxy-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25129178

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-2-(4-methylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4,6-dimethoxy-2-(4-methylpiperazin-1-yl)pyrimidine (CID 4101454) is 4,6-dimethoxy-2-(4-methylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4,6-dimethoxy-2-(4-methylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4,6-dimethoxy-2-(4-methylpiperazin-1-yl)pyrimidine is COc1cc(OC)nc(N2CCN(C)CC2)n1.
What is the InChIKey of 4,6-dimethoxy-2-(4-methylpiperazin-1-yl)pyrimidine?
The InChIKey is XKKSPCZZHRFHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-14-4-6-15(7-5-14)11-12-9(16-2)8-10(13-11)17-3/h8H,4-7H2,1-3H3.
What are the key properties of 4,6-dimethoxy-2-(4-methylpiperazin-1-yl)pyrimidine?
4,6-dimethoxy-2-(4-methylpiperazin-1-yl)pyrimidine has a molecular weight of 238.29 g/mol, XLogP of 0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-2-(4-methylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 4101454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).