4-methoxy-6-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine

C16H21N5O — CID 171130683

IUPAC4-methoxy-6-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine
SMILESCOc1cc(N2CCN(Cc3cccnc3C)CC2)ncn1
InChIInChI=1S/C16H21N5O/c1-13-14(4-3-5-17-13)11-20-6-8-21(9-7-20)15-10-16(22-2)19-12-18-15/h3-5,10,12H,6-9,11H2,1-2H3
InChIKeyAOOSWKUOIQNWMZ-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.51
Rot. Bonds4

About 4-methoxy-6-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine

4-methoxy-6-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine (PubChem CID 171130683) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 4-methoxy-6-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methoxy-6-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine
PubChem CID171130683
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name4-methoxy-6-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine
SMILESCOc1cc(N2CCN(Cc3cccnc3C)CC2)ncn1
InChIInChI=1S/C16H21N5O/c1-13-14(4-3-5-17-13)11-20-6-8-21(9-7-20)15-10-16(22-2)19-12-18-15/h3-5,10,12H,6-9,11H2,1-2H3
InChIKeyAOOSWKUOIQNWMZ-UHFFFAOYSA-N
XLogP1.51
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-6-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrimidine
CID 154575770
4-methoxy-6-[4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-1-yl]pyrimidine
CID 50967833
1-methyl-4-[(2-methyl-3-pyridinyl)methyl]piperazine
CID 71302088
2-methyl-3-(pyrrolidin-1-ylmethyl)pyridine
CID 130158747
4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-6-methoxypyrimidine
CID 146074484
5-chloro-2-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine
CID 166600720
4-[4-(2-bromoethyl)piperazin-1-yl]-6-methoxypyrimidine
CID 80673097
1-[(2-bromophenyl)methyl]-4-[(2-methyl-3-pyridinyl)methyl]piperazine
CID 166601534
5-fluoro-4-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-6-propan-2-ylpyrimidine
CID 166601004
4-methoxy-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 166605974
4-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-6-methylpyrimidine
CID 171704326
3-[[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 67631416

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 4-methoxy-6-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine (CID 171130683) is 4-methoxy-6-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-methoxy-6-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-methoxy-6-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine is COc1cc(N2CCN(Cc3cccnc3C)CC2)ncn1.
What is the InChIKey of 4-methoxy-6-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine?
The InChIKey is AOOSWKUOIQNWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-13-14(4-3-5-17-13)11-20-6-8-21(9-7-20)15-10-16(22-2)19-12-18-15/h3-5,10,12H,6-9,11H2,1-2H3.
What are the key properties of 4-methoxy-6-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine?
4-methoxy-6-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine has a molecular weight of 299.38 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 171130683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).