5-bromo-2-methyl-3-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-4-one

C14H22BrN3O — CID 66310528

IUPAC5-bromo-2-methyl-3-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-4-one
SMILESCc1ncc(Br)c(=O)n1CCNC1CCC(C)CC1
InChIInChI=1S/C14H22BrN3O/c1-10-3-5-12(6-4-10)16-7-8-18-11(2)17-9-13(15)14(18)19/h9-10,12,16H,3-8H2,1-2H3
InChIKeyAETJJTPJOPJQKP-UHFFFAOYSA-N
MW328.25 g/mol
LogP2.48
Rot. Bonds4

About 5-bromo-2-methyl-3-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-4-one

5-bromo-2-methyl-3-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-4-one (PubChem CID 66310528) has the molecular formula C14H22BrN3O and a molecular weight of 328.25 g/mol. Its IUPAC name is 5-bromo-2-methyl-3-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-2-methyl-3-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-4-one
PubChem CID66310528
Molecular FormulaC14H22BrN3O
Molecular Weight328.25 g/mol
Exact Mass327.09
IUPAC Name5-bromo-2-methyl-3-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-4-one
SMILESCc1ncc(Br)c(=O)n1CCNC1CCC(C)CC1
InChIInChI=1S/C14H22BrN3O/c1-10-3-5-12(6-4-10)16-7-8-18-11(2)17-9-13(15)14(18)19/h9-10,12,16H,3-8H2,1-2H3
InChIKeyAETJJTPJOPJQKP-UHFFFAOYSA-N
XLogP2.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-3-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]-2-methylpyrimidin-4-one
CID 66308822
3-[2-(cycloheptylamino)ethyl]-5-iodo-2-methylpyrimidin-4-one
CID 66340070
5-bromo-3-(2-cyclopropylethyl)-2-methylpyrimidin-4-one
CID 66310504
5-bromo-3-[3-(cyclopropylamino)-2-hydroxypropyl]-2-methylpyrimidin-4-one
CID 66310491
5-bromo-3-[2-(tert-butylamino)ethyl]-2-methylpyrimidin-4-one
CID 66310310
5-bromo-2-methyl-3-[4-(propylamino)butyl]pyrimidin-4-one
CID 66309683
5-bromo-3-[3-(ethylamino)propyl]-2-methylpyrimidin-4-one
CID 66310095
3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)propanamide
CID 66310297
5-bromo-3-[2-[3-(dimethylamino)propylamino]ethyl]-2-methylpyrimidin-4-one
CID 66309044
5-bromo-2-methyl-3-(9-sulfanylnonyl)pyrimidin-4-one
CID 105344641
5-bromo-2-methyl-3-(2-phenylethyl)pyrimidin-4-one
CID 66307969
5-bromo-2-methyl-3-(2-methylpropyl)pyrimidin-4-one
CID 66309229

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-3-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-2-methyl-3-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-4-one (CID 66310528) is 5-bromo-2-methyl-3-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-2-methyl-3-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-2-methyl-3-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-4-one is Cc1ncc(Br)c(=O)n1CCNC1CCC(C)CC1.
What is the InChIKey of 5-bromo-2-methyl-3-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-4-one?
The InChIKey is AETJJTPJOPJQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O/c1-10-3-5-12(6-4-10)16-7-8-18-11(2)17-9-13(15)14(18)19/h9-10,12,16H,3-8H2,1-2H3.
What are the key properties of 5-bromo-2-methyl-3-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-4-one?
5-bromo-2-methyl-3-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-4-one has a molecular weight of 328.25 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-3-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-4-one is sourced from PubChem (CID 66310528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).