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

C10H17BrN4O — CID 136848628

IUPAC4-[(1-amino-4-methylpentan-3-yl)amino]-5-bromo-1H-pyrimidin-6-one
SMILESCC(C)C(CCN)Nc1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H17BrN4O/c1-6(2)7(3-4-12)15-9-8(11)10(16)14-5-13-9/h5-7H,3-4,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyNROXGDUWMYTVCS-UHFFFAOYSA-N
MW289.18 g/mol
LogP1.32
Rot. Bonds5

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

4-[(1-amino-4-methylpentan-3-yl)amino]-5-bromo-1H-pyrimidin-6-one (PubChem CID 136848628) has the molecular formula C10H17BrN4O and a molecular weight of 289.18 g/mol. Its IUPAC name is 4-[(1-amino-4-methylpentan-3-yl)amino]-5-bromo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-amino-4-methylpentan-3-yl)amino]-5-bromo-1H-pyrimidin-6-one
PubChem CID136848628
Molecular FormulaC10H17BrN4O
Molecular Weight289.18 g/mol
Exact Mass288.06
IUPAC Name4-[(1-amino-4-methylpentan-3-yl)amino]-5-bromo-1H-pyrimidin-6-one
SMILESCC(C)C(CCN)Nc1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H17BrN4O/c1-6(2)7(3-4-12)15-9-8(11)10(16)14-5-13-9/h5-7H,3-4,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyNROXGDUWMYTVCS-UHFFFAOYSA-N
XLogP1.32
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-amino-4-methylpentan-3-yl)amino]-5-bromo-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-amino-4-methylpentan-3-yl)amino]-5-bromo-1H-pyrimidin-6-one (CID 136848628) is 4-[(1-amino-4-methylpentan-3-yl)amino]-5-bromo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-amino-4-methylpentan-3-yl)amino]-5-bromo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-amino-4-methylpentan-3-yl)amino]-5-bromo-1H-pyrimidin-6-one is CC(C)C(CCN)Nc1nc[nH]c(=O)c1Br.
What is the InChIKey of 4-[(1-amino-4-methylpentan-3-yl)amino]-5-bromo-1H-pyrimidin-6-one?
The InChIKey is NROXGDUWMYTVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN4O/c1-6(2)7(3-4-12)15-9-8(11)10(16)14-5-13-9/h5-7H,3-4,12H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 4-[(1-amino-4-methylpentan-3-yl)amino]-5-bromo-1H-pyrimidin-6-one?
4-[(1-amino-4-methylpentan-3-yl)amino]-5-bromo-1H-pyrimidin-6-one has a molecular weight of 289.18 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-amino-4-methylpentan-3-yl)amino]-5-bromo-1H-pyrimidin-6-one is sourced from PubChem (CID 136848628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).