4,6-dimethoxy-2-piperazin-1-ylpyrimidine

C10H16N4O2 — CID 5090928

IUPAC4,6-dimethoxy-2-piperazin-1-ylpyrimidine
SMILESCOc1cc(OC)nc(N2CCNCC2)n1
InChIInChI=1S/C10H16N4O2/c1-15-8-7-9(16-2)13-10(12-8)14-5-3-11-4-6-14/h7,11H,3-6H2,1-2H3
InChIKeySKUYHUBUTWPQLQ-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.10
Rot. Bonds3

About 4,6-dimethoxy-2-piperazin-1-ylpyrimidine

4,6-dimethoxy-2-piperazin-1-ylpyrimidine (PubChem CID 5090928) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4,6-dimethoxy-2-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name4,6-dimethoxy-2-piperazin-1-ylpyrimidine
PubChem CID5090928
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name4,6-dimethoxy-2-piperazin-1-ylpyrimidine
SMILESCOc1cc(OC)nc(N2CCNCC2)n1
InChIInChI=1S/C10H16N4O2/c1-15-8-7-9(16-2)13-10(12-8)14-5-3-11-4-6-14/h7,11H,3-6H2,1-2H3
InChIKeySKUYHUBUTWPQLQ-UHFFFAOYSA-N
XLogP-0.10
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Amino-4,6-dimethoxypyrimidine
CID 118946
4,6-Dimethoxy-2-pyrimidinyl urea
CID 9837373
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-Methoxy-2-(piperazin-1-yl)pyrimidine
CID 11480987
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
1-(4,6-Dimethoxy-2-pyrimidinyl)-3-(2-methoxyethyl)thiourea
CID 1955478
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

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-2-piperazin-1-ylpyrimidine?
The IUPAC name of 4,6-dimethoxy-2-piperazin-1-ylpyrimidine (CID 5090928) is 4,6-dimethoxy-2-piperazin-1-ylpyrimidine.
What is the SMILES notation for 4,6-dimethoxy-2-piperazin-1-ylpyrimidine?
The canonical SMILES for 4,6-dimethoxy-2-piperazin-1-ylpyrimidine is COc1cc(OC)nc(N2CCNCC2)n1.
What is the InChIKey of 4,6-dimethoxy-2-piperazin-1-ylpyrimidine?
The InChIKey is SKUYHUBUTWPQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-15-8-7-9(16-2)13-10(12-8)14-5-3-11-4-6-14/h7,11H,3-6H2,1-2H3.
What are the key properties of 4,6-dimethoxy-2-piperazin-1-ylpyrimidine?
4,6-dimethoxy-2-piperazin-1-ylpyrimidine has a molecular weight of 224.26 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-2-piperazin-1-ylpyrimidine is sourced from PubChem (CID 5090928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).