2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-4,5,6-trimethylpyrimidine

C17H23N5O — CID 163316830

IUPAC2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-4,5,6-trimethylpyrimidine
SMILESCOc1ccc(N2CCN(c3nc(C)c(C)c(C)n3)CC2)cn1
InChIInChI=1S/C17H23N5O/c1-12-13(2)19-17(20-14(12)3)22-9-7-21(8-10-22)15-5-6-16(23-4)18-11-15/h5-6,11H,7-10H2,1-4H3
InChIKeyIYOANCROZKDXJN-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.13
Rot. Bonds3

About 2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-4,5,6-trimethylpyrimidine

2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-4,5,6-trimethylpyrimidine (PubChem CID 163316830) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-4,5,6-trimethylpyrimidine.

Molecular Properties

Compound Name2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-4,5,6-trimethylpyrimidine
PubChem CID163316830
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-4,5,6-trimethylpyrimidine
SMILESCOc1ccc(N2CCN(c3nc(C)c(C)c(C)n3)CC2)cn1
InChIInChI=1S/C17H23N5O/c1-12-13(2)19-17(20-14(12)3)22-9-7-21(8-10-22)15-5-6-16(23-4)18-11-15/h5-6,11H,7-10H2,1-4H3
InChIKeyIYOANCROZKDXJN-UHFFFAOYSA-N
XLogP2.13
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-4,5,6-trimethylpyrimidine?
The IUPAC name of 2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-4,5,6-trimethylpyrimidine (CID 163316830) is 2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-4,5,6-trimethylpyrimidine.
What is the SMILES notation for 2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-4,5,6-trimethylpyrimidine?
The canonical SMILES for 2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-4,5,6-trimethylpyrimidine is COc1ccc(N2CCN(c3nc(C)c(C)c(C)n3)CC2)cn1.
What is the InChIKey of 2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-4,5,6-trimethylpyrimidine?
The InChIKey is IYOANCROZKDXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-12-13(2)19-17(20-14(12)3)22-9-7-21(8-10-22)15-5-6-16(23-4)18-11-15/h5-6,11H,7-10H2,1-4H3.
What are the key properties of 2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-4,5,6-trimethylpyrimidine?
2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-4,5,6-trimethylpyrimidine has a molecular weight of 313.41 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-4,5,6-trimethylpyrimidine is sourced from PubChem (CID 163316830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).