4-methoxy-6-(4-propan-2-ylpiperazin-1-yl)pyrimidine

C12H20N4O — CID 175647933

IUPAC4-methoxy-6-(4-propan-2-ylpiperazin-1-yl)pyrimidine
SMILESCOc1cc(N2CCN(C(C)C)CC2)ncn1
InChIInChI=1S/C12H20N4O/c1-10(2)15-4-6-16(7-5-15)11-8-12(17-3)14-9-13-11/h8-10H,4-7H2,1-3H3
InChIKeyKQYCYJKJFFKOEK-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.02
Rot. Bonds3

About 4-methoxy-6-(4-propan-2-ylpiperazin-1-yl)pyrimidine

4-methoxy-6-(4-propan-2-ylpiperazin-1-yl)pyrimidine (PubChem CID 175647933) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-methoxy-6-(4-propan-2-ylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-methoxy-6-(4-propan-2-ylpiperazin-1-yl)pyrimidine
PubChem CID175647933
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-methoxy-6-(4-propan-2-ylpiperazin-1-yl)pyrimidine
SMILESCOc1cc(N2CCN(C(C)C)CC2)ncn1
InChIInChI=1S/C12H20N4O/c1-10(2)15-4-6-16(7-5-15)11-8-12(17-3)14-9-13-11/h8-10H,4-7H2,1-3H3
InChIKeyKQYCYJKJFFKOEK-UHFFFAOYSA-N
XLogP1.02
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-propan-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 122282402
4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine
CID 154838772
2-methoxy-6-(4-propan-2-ylpiperazin-1-yl)pyrazine
CID 166710904
4-[4-(2-bromoethyl)piperazin-1-yl]-6-methoxypyrimidine
CID 80673097
2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methylpyrazine
CID 155799860
4-cyclobutyl-6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 146074366
4-ethoxy-6-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine
CID 133490427
4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-6-methoxypyrimidine
CID 146079556
1-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]ethanamine
CID 103976631
2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-amine
CID 66318068
4-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-6-methoxypyrimidine
CID 165433836
5-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyridin-2-amine
CID 66318979

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(4-propan-2-ylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-methoxy-6-(4-propan-2-ylpiperazin-1-yl)pyrimidine (CID 175647933) is 4-methoxy-6-(4-propan-2-ylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-methoxy-6-(4-propan-2-ylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-methoxy-6-(4-propan-2-ylpiperazin-1-yl)pyrimidine is COc1cc(N2CCN(C(C)C)CC2)ncn1.
What is the InChIKey of 4-methoxy-6-(4-propan-2-ylpiperazin-1-yl)pyrimidine?
The InChIKey is KQYCYJKJFFKOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-10(2)15-4-6-16(7-5-15)11-8-12(17-3)14-9-13-11/h8-10H,4-7H2,1-3H3.
What are the key properties of 4-methoxy-6-(4-propan-2-ylpiperazin-1-yl)pyrimidine?
4-methoxy-6-(4-propan-2-ylpiperazin-1-yl)pyrimidine has a molecular weight of 236.32 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(4-propan-2-ylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 175647933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).