4-[(2-aminocyclohexyl)-methylamino]-5-bromo-1H-pyrimidin-6-one

C11H17BrN4O — CID 136807849

IUPAC4-[(2-aminocyclohexyl)-methylamino]-5-bromo-1H-pyrimidin-6-one
SMILESCN(c1nc[nH]c(=O)c1Br)C1CCCCC1N
InChIInChI=1S/C11H17BrN4O/c1-16(8-5-3-2-4-7(8)13)10-9(12)11(17)15-6-14-10/h6-8H,2-5,13H2,1H3,(H,14,15,17)
InChIKeyRRXBRWGCLPZDGB-UHFFFAOYSA-N
MW301.19 g/mol
LogP1.24
Rot. Bonds2

About 4-[(2-aminocyclohexyl)-methylamino]-5-bromo-1H-pyrimidin-6-one

4-[(2-aminocyclohexyl)-methylamino]-5-bromo-1H-pyrimidin-6-one (PubChem CID 136807849) has the molecular formula C11H17BrN4O and a molecular weight of 301.19 g/mol. Its IUPAC name is 4-[(2-aminocyclohexyl)-methylamino]-5-bromo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-aminocyclohexyl)-methylamino]-5-bromo-1H-pyrimidin-6-one
PubChem CID136807849
Molecular FormulaC11H17BrN4O
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name4-[(2-aminocyclohexyl)-methylamino]-5-bromo-1H-pyrimidin-6-one
SMILESCN(c1nc[nH]c(=O)c1Br)C1CCCCC1N
InChIInChI=1S/C11H17BrN4O/c1-16(8-5-3-2-4-7(8)13)10-9(12)11(17)15-6-14-10/h6-8H,2-5,13H2,1H3,(H,14,15,17)
InChIKeyRRXBRWGCLPZDGB-UHFFFAOYSA-N
XLogP1.24
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Bromo-3-[2-(cyclohexylamino)ethyl]-6-methylpyrimidin-4-one
CID 66309844
5-Bromo-3-[2-(cyclohexylamino)ethyl]pyrimidin-4-one
CID 66310001
5-Amino-6-(cyclohexylamino)pyrimidin-4(3H)-one
CID 135741811
5-bromo-4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136672453
5-bromo-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731504
4-(6-aminohexylamino)-5-bromo-1H-pyrimidin-6-one
CID 136755775
5-bromo-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778295
5-bromo-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780969
5-bromo-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780976
5-bromo-4-[butyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781010
5-bromo-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781020
4-[[(1R,2R)-2-aminocyclohexyl]amino]-1H-pyrimidin-6-one
CID 136792790

Frequently Asked Questions

What is the IUPAC name of 4-[(2-aminocyclohexyl)-methylamino]-5-bromo-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-aminocyclohexyl)-methylamino]-5-bromo-1H-pyrimidin-6-one (CID 136807849) is 4-[(2-aminocyclohexyl)-methylamino]-5-bromo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-aminocyclohexyl)-methylamino]-5-bromo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-aminocyclohexyl)-methylamino]-5-bromo-1H-pyrimidin-6-one is CN(c1nc[nH]c(=O)c1Br)C1CCCCC1N.
What is the InChIKey of 4-[(2-aminocyclohexyl)-methylamino]-5-bromo-1H-pyrimidin-6-one?
The InChIKey is RRXBRWGCLPZDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O/c1-16(8-5-3-2-4-7(8)13)10-9(12)11(17)15-6-14-10/h6-8H,2-5,13H2,1H3,(H,14,15,17).
What are the key properties of 4-[(2-aminocyclohexyl)-methylamino]-5-bromo-1H-pyrimidin-6-one?
4-[(2-aminocyclohexyl)-methylamino]-5-bromo-1H-pyrimidin-6-one has a molecular weight of 301.19 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-aminocyclohexyl)-methylamino]-5-bromo-1H-pyrimidin-6-one is sourced from PubChem (CID 136807849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).