5-methoxy-2-(piperazin-1-ylmethyl)pyrimidine

C10H16N4O — CID 84780252

IUPAC5-methoxy-2-(piperazin-1-ylmethyl)pyrimidine
SMILESCOc1cnc(CN2CCNCC2)nc1
InChIInChI=1S/C10H16N4O/c1-15-9-6-12-10(13-7-9)8-14-4-2-11-3-5-14/h6-7,11H,2-5,8H2,1H3
InChIKeyKUVOTZBBZZBAFQ-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.11
Rot. Bonds3

About 5-methoxy-2-(piperazin-1-ylmethyl)pyrimidine

5-methoxy-2-(piperazin-1-ylmethyl)pyrimidine (PubChem CID 84780252) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-methoxy-2-(piperazin-1-ylmethyl)pyrimidine.

Molecular Properties

Compound Name5-methoxy-2-(piperazin-1-ylmethyl)pyrimidine
PubChem CID84780252
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name5-methoxy-2-(piperazin-1-ylmethyl)pyrimidine
SMILESCOc1cnc(CN2CCNCC2)nc1
InChIInChI=1S/C10H16N4O/c1-15-9-6-12-10(13-7-9)8-14-4-2-11-3-5-14/h6-7,11H,2-5,8H2,1H3
InChIKeyKUVOTZBBZZBAFQ-UHFFFAOYSA-N
XLogP-0.11
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(piperazin-1-ylmethyl)-1,3,5-triazine
CID 82468295
1-[(5-methoxy-3-pyridinyl)methyl]-1,4-diazepane
CID 83890066
4-methyl-2-(piperazin-1-ylmethyl)pyrimidine
CID 63343078
2-(2-methylpropyl)-5-(piperazin-1-ylmethyl)pyrimidine
CID 178104268
5-methoxy-2-[[3-(4-methoxyphenyl)piperidin-1-yl]methyl]pyrimidine
CID 139475793
1-[(2,6-dimethoxy-4-pyridinyl)methyl]piperazine
CID 84700154
1-[(2-chloro-4-methoxyphenyl)methyl]piperazine
CID 5037695
1-[(2-methoxy-3-pyridinyl)methyl]piperazine
CID 22032016
1-(5-methoxy-2-pyridinyl)-1,4-diazepane
CID 83848456
5,6-dimethyl-3-(piperazin-1-ylmethyl)-1,2,4-triazine
CID 82470457
1-[(3-methoxy-5-propan-2-ylphenyl)methyl]piperazine
CID 117374507
4-methoxy-2-(1,4,7-triazonan-1-ylmethyl)phenol
CID 165144364

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(piperazin-1-ylmethyl)pyrimidine?
The IUPAC name of 5-methoxy-2-(piperazin-1-ylmethyl)pyrimidine (CID 84780252) is 5-methoxy-2-(piperazin-1-ylmethyl)pyrimidine.
What is the SMILES notation for 5-methoxy-2-(piperazin-1-ylmethyl)pyrimidine?
The canonical SMILES for 5-methoxy-2-(piperazin-1-ylmethyl)pyrimidine is COc1cnc(CN2CCNCC2)nc1.
What is the InChIKey of 5-methoxy-2-(piperazin-1-ylmethyl)pyrimidine?
The InChIKey is KUVOTZBBZZBAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-15-9-6-12-10(13-7-9)8-14-4-2-11-3-5-14/h6-7,11H,2-5,8H2,1H3.
What are the key properties of 5-methoxy-2-(piperazin-1-ylmethyl)pyrimidine?
5-methoxy-2-(piperazin-1-ylmethyl)pyrimidine has a molecular weight of 208.26 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(piperazin-1-ylmethyl)pyrimidine is sourced from PubChem (CID 84780252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).