4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-6-methoxypyrimidine

C15H20N6O — CID 146079556

IUPAC4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-6-methoxypyrimidine
SMILESCCc1cnc(N2CCN(c3cc(OC)ncn3)CC2)nc1
InChIInChI=1S/C15H20N6O/c1-3-12-9-16-15(17-10-12)21-6-4-20(5-7-21)13-8-14(22-2)19-11-18-13/h8-11H,3-7H2,1-2H3
InChIKeyMBDVULWNACUMCN-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.16
Rot. Bonds4

About 4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-6-methoxypyrimidine

4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-6-methoxypyrimidine (PubChem CID 146079556) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-6-methoxypyrimidine.

Molecular Properties

Compound Name4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-6-methoxypyrimidine
PubChem CID146079556
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-6-methoxypyrimidine
SMILESCCc1cnc(N2CCN(c3cc(OC)ncn3)CC2)nc1
InChIInChI=1S/C15H20N6O/c1-3-12-9-16-15(17-10-12)21-6-4-20(5-7-21)13-8-14(22-2)19-11-18-13/h8-11H,3-7H2,1-2H3
InChIKeyMBDVULWNACUMCN-UHFFFAOYSA-N
XLogP1.16
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methylpyrazine
CID 155799860
4-methoxy-6-(4-propan-2-ylpiperazin-1-yl)pyrimidine
CID 175647933
4-[4-(2-bromoethyl)piperazin-1-yl]-6-methoxypyrimidine
CID 80673097
ethane;5-ethyl-2-(4-ethylpiperazin-1-yl)pyrimidine
CID 145380251
5-ethyl-2-(4-propylpiperazin-1-yl)pyrimidine
CID 168923337
2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-amine
CID 66318068
5-ethyl-2-[4-[(1S)-1-methoxyethyl]piperidin-1-yl]pyrimidine
CID 131998372
4-methoxy-6-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrimidine
CID 154575770
4-methoxy-6-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine
CID 155800641
4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine
CID 154838772
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-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-6-methoxypyrimidine?
The IUPAC name of 4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-6-methoxypyrimidine (CID 146079556) is 4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-6-methoxypyrimidine.
What is the SMILES notation for 4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-6-methoxypyrimidine?
The canonical SMILES for 4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-6-methoxypyrimidine is CCc1cnc(N2CCN(c3cc(OC)ncn3)CC2)nc1.
What is the InChIKey of 4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-6-methoxypyrimidine?
The InChIKey is MBDVULWNACUMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-3-12-9-16-15(17-10-12)21-6-4-20(5-7-21)13-8-14(22-2)19-11-18-13/h8-11H,3-7H2,1-2H3.
What are the key properties of 4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-6-methoxypyrimidine?
4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-6-methoxypyrimidine has a molecular weight of 300.37 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-6-methoxypyrimidine is sourced from PubChem (CID 146079556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).