5-bromo-4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one

C10H16BrN3O2 — CID 136956769

IUPAC5-bromo-4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one
SMILESCCCC(COC)Nc1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H16BrN3O2/c1-3-4-7(5-16-2)14-9-8(11)10(15)13-6-12-9/h6-7H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyKOUJKIKFRCCVCY-UHFFFAOYSA-N
MW290.16 g/mol
LogP1.76
Rot. Bonds6

About 5-bromo-4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one

5-bromo-4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one (PubChem CID 136956769) has the molecular formula C10H16BrN3O2 and a molecular weight of 290.16 g/mol. Its IUPAC name is 5-bromo-4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one
PubChem CID136956769
Molecular FormulaC10H16BrN3O2
Molecular Weight290.16 g/mol
Exact Mass289.04
IUPAC Name5-bromo-4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one
SMILESCCCC(COC)Nc1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H16BrN3O2/c1-3-4-7(5-16-2)14-9-8(11)10(15)13-6-12-9/h6-7H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyKOUJKIKFRCCVCY-UHFFFAOYSA-N
XLogP1.76
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781030
5-bromo-4-(5-methoxypentylamino)-1H-pyrimidin-6-one
CID 136786670
4-[(3-amino-4-methoxybutyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136805762
5-bromo-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820298
5-bromo-4-[(3-methyloxan-3-yl)amino]-1H-pyrimidin-6-one
CID 136824070
5-bromo-4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136824076
4-[(1-amino-3-methoxypropan-2-yl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136870581
5-bromo-4-[2-[2-(dimethylamino)ethoxy]ethylamino]-1H-pyrimidin-6-one
CID 136896843
5-bromo-4-[(4-chloro-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136901081
4-[(4-amino-1-methoxybutan-2-yl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136901097
5-bromo-4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136901113
5-bromo-4-(2-ethoxyethylamino)-1H-pyrimidin-6-one
CID 136955870

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one (CID 136956769) is 5-bromo-4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one is CCCC(COC)Nc1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one?
The InChIKey is KOUJKIKFRCCVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O2/c1-3-4-7(5-16-2)14-9-8(11)10(15)13-6-12-9/h6-7H,3-5H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 5-bromo-4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one?
5-bromo-4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one has a molecular weight of 290.16 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136956769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).