4-(3,5-dimethylpiperazin-1-yl)-6-methoxy-2-methylpyrimidine

C12H20N4O — CID 66332868

IUPAC4-(3,5-dimethylpiperazin-1-yl)-6-methoxy-2-methylpyrimidine
SMILESCOc1cc(N2CC(C)NC(C)C2)nc(C)n1
InChIInChI=1S/C12H20N4O/c1-8-6-16(7-9(2)13-8)11-5-12(17-4)15-10(3)14-11/h5,8-9,13H,6-7H2,1-4H3
InChIKeyUTJVYMBWQVUBKB-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.98
Rot. Bonds2

About 4-(3,5-dimethylpiperazin-1-yl)-6-methoxy-2-methylpyrimidine

4-(3,5-dimethylpiperazin-1-yl)-6-methoxy-2-methylpyrimidine (PubChem CID 66332868) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperazin-1-yl)-6-methoxy-2-methylpyrimidine.

Molecular Properties

Compound Name4-(3,5-dimethylpiperazin-1-yl)-6-methoxy-2-methylpyrimidine
PubChem CID66332868
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-(3,5-dimethylpiperazin-1-yl)-6-methoxy-2-methylpyrimidine
SMILESCOc1cc(N2CC(C)NC(C)C2)nc(C)n1
InChIInChI=1S/C12H20N4O/c1-8-6-16(7-9(2)13-8)11-5-12(17-4)15-10(3)14-11/h5,8-9,13H,6-7H2,1-4H3
InChIKeyUTJVYMBWQVUBKB-UHFFFAOYSA-N
XLogP0.98
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-chloropiperidin-1-yl)-6-methoxy-2-methylpyrimidine
CID 66331875
3-ethyl-1-(6-methoxy-2-methylpyrimidin-4-yl)azetidin-3-amine
CID 66333706
2-(6-methoxy-2-methylpyrimidin-4-yl)-1,3-dihydroisoindol-5-amine
CID 66333890
1-(6-methoxy-2-methylpyrimidin-4-yl)-2-methylpiperidine-4-carboxylic acid
CID 106742528
1-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 121035022
N-(azetidin-3-yl)-6-methoxy-2-methylpyrimidin-4-amine
CID 66331245
4,6-dimethoxy-2-[(3S)-3-methylpiperazin-1-yl]pyrimidine
CID 96913861
4-methoxy-6-methyl-2-[(3R)-3-methylpiperazin-1-yl]pyrimidine
CID 104976163
6-methoxy-N-(6-methoxy-2-methylpyrimidin-4-yl)-2-methylpyrimidin-4-amine
CID 121013131
4-chloro-6-(3,5-dimethylpiperazin-1-yl)pyrimidine
CID 76837839
1-[1-(6-methoxy-2-methylpyrimidin-4-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106321931
2-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]butan-1-amine
CID 66332259

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperazin-1-yl)-6-methoxy-2-methylpyrimidine?
The IUPAC name of 4-(3,5-dimethylpiperazin-1-yl)-6-methoxy-2-methylpyrimidine (CID 66332868) is 4-(3,5-dimethylpiperazin-1-yl)-6-methoxy-2-methylpyrimidine.
What is the SMILES notation for 4-(3,5-dimethylpiperazin-1-yl)-6-methoxy-2-methylpyrimidine?
The canonical SMILES for 4-(3,5-dimethylpiperazin-1-yl)-6-methoxy-2-methylpyrimidine is COc1cc(N2CC(C)NC(C)C2)nc(C)n1.
What is the InChIKey of 4-(3,5-dimethylpiperazin-1-yl)-6-methoxy-2-methylpyrimidine?
The InChIKey is UTJVYMBWQVUBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8-6-16(7-9(2)13-8)11-5-12(17-4)15-10(3)14-11/h5,8-9,13H,6-7H2,1-4H3.
What are the key properties of 4-(3,5-dimethylpiperazin-1-yl)-6-methoxy-2-methylpyrimidine?
4-(3,5-dimethylpiperazin-1-yl)-6-methoxy-2-methylpyrimidine has a molecular weight of 236.32 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperazin-1-yl)-6-methoxy-2-methylpyrimidine is sourced from PubChem (CID 66332868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).