5-bromo-4-chloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-(methoxymethyl)pyrimidine

C13H20BrClN4O — CID 115414517

IUPAC5-bromo-4-chloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-(methoxymethyl)pyrimidine
SMILESCOCc1nc(CC2CN(C)CCN2C)nc(Cl)c1Br
InChIInChI=1S/C13H20BrClN4O/c1-18-4-5-19(2)9(7-18)6-11-16-10(8-20-3)12(14)13(15)17-11/h9H,4-8H2,1-3H3
InChIKeySBARMRNRGMBYSO-UHFFFAOYSA-N
MW363.69 g/mol
LogP1.83
Rot. Bonds4

About 5-bromo-4-chloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-(methoxymethyl)pyrimidine

5-bromo-4-chloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-(methoxymethyl)pyrimidine (PubChem CID 115414517) has the molecular formula C13H20BrClN4O and a molecular weight of 363.69 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-(methoxymethyl)pyrimidine
PubChem CID115414517
Molecular FormulaC13H20BrClN4O
Molecular Weight363.69 g/mol
Exact Mass362.05
IUPAC Name5-bromo-4-chloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-(methoxymethyl)pyrimidine
SMILESCOCc1nc(CC2CN(C)CCN2C)nc(Cl)c1Br
InChIInChI=1S/C13H20BrClN4O/c1-18-4-5-19(2)9(7-18)6-11-16-10(8-20-3)12(14)13(15)17-11/h9H,4-8H2,1-3H3
InChIKeySBARMRNRGMBYSO-UHFFFAOYSA-N
XLogP1.83
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.69
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 137011848
5-bromo-2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106480675
5-bromo-4-chloro-6-(methoxymethyl)-2-(3-methoxypropyl)pyrimidine
CID 66293231
[2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
CID 115415806
5-bromo-4-chloro-2-(cyclopentylsulfanylmethyl)-6-(methoxymethyl)pyrimidine
CID 66292018
4-chloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidine
CID 115414497
5-bromo-2-[(2-bromophenyl)methyl]-4-chloro-6-(methoxymethyl)pyrimidine
CID 66293853
5-bromo-2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-methylpyrimidin-4-amine
CID 115415783
[2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methylpyrimidin-4-yl]methanamine
CID 113305593
5-bromo-2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propyl-1H-pyrimidin-6-one
CID 137011840
2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 115415736
5-bromo-4-chloro-6-(methoxymethyl)-2-(4-propan-2-ylcyclohexyl)pyrimidine
CID 66293644

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-(methoxymethyl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-(methoxymethyl)pyrimidine (CID 115414517) is 5-bromo-4-chloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-(methoxymethyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-(methoxymethyl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-(methoxymethyl)pyrimidine is COCc1nc(CC2CN(C)CCN2C)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-(methoxymethyl)pyrimidine?
The InChIKey is SBARMRNRGMBYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrClN4O/c1-18-4-5-19(2)9(7-18)6-11-16-10(8-20-3)12(14)13(15)17-11/h9H,4-8H2,1-3H3.
What are the key properties of 5-bromo-4-chloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-(methoxymethyl)pyrimidine?
5-bromo-4-chloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-(methoxymethyl)pyrimidine has a molecular weight of 363.69 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-(methoxymethyl)pyrimidine is sourced from PubChem (CID 115414517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).