5-bromo-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one

C10H16BrN3O2 — CID 136956801

IUPAC5-bromo-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCOCC(Nc1nc[nH]c(=O)c1Br)C(C)C
InChIInChI=1S/C10H16BrN3O2/c1-6(2)7(4-16-3)14-9-8(11)10(15)13-5-12-9/h5-7H,4H2,1-3H3,(H2,12,13,14,15)
InChIKeyQKYOSXZKTUPMPY-UHFFFAOYSA-N
MW290.16 g/mol
LogP1.62
Rot. Bonds5

About 5-bromo-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one

5-bromo-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136956801) has the molecular formula C10H16BrN3O2 and a molecular weight of 290.16 g/mol. Its IUPAC name is 5-bromo-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID136956801
Molecular FormulaC10H16BrN3O2
Molecular Weight290.16 g/mol
Exact Mass289.04
IUPAC Name5-bromo-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCOCC(Nc1nc[nH]c(=O)c1Br)C(C)C
InChIInChI=1S/C10H16BrN3O2/c1-6(2)7(4-16-3)14-9-8(11)10(15)13-5-12-9/h5-7H,4H2,1-3H3,(H2,12,13,14,15)
InChIKeyQKYOSXZKTUPMPY-UHFFFAOYSA-N
XLogP1.62
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136764962
5-bromo-4-[2-(cyclopropylmethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136764981
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
4-[(1-ethoxy-3-methylbutan-2-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136824075
5-bromo-4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136824076
4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136824090
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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one (CID 136956801) is 5-bromo-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one is COCC(Nc1nc[nH]c(=O)c1Br)C(C)C.
What is the InChIKey of 5-bromo-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is QKYOSXZKTUPMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O2/c1-6(2)7(4-16-3)14-9-8(11)10(15)13-5-12-9/h5-7H,4H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 5-bromo-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one?
5-bromo-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 290.16 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).