5-amino-4-[bis(3-methylbutyl)amino]-1H-pyrimidin-6-one

C14H26N4O — CID 136918142

IUPAC5-amino-4-[bis(3-methylbutyl)amino]-1H-pyrimidin-6-one
SMILESCC(C)CCN(CCC(C)C)c1nc[nH]c(=O)c1N
InChIInChI=1S/C14H26N4O/c1-10(2)5-7-18(8-6-11(3)4)13-12(15)14(19)17-9-16-13/h9-11H,5-8,15H2,1-4H3,(H,16,17,19)
InChIKeyUWBLYZMHICUYQR-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.25
Rot. Bonds7

About 5-amino-4-[bis(3-methylbutyl)amino]-1H-pyrimidin-6-one

5-amino-4-[bis(3-methylbutyl)amino]-1H-pyrimidin-6-one (PubChem CID 136918142) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 5-amino-4-[bis(3-methylbutyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[bis(3-methylbutyl)amino]-1H-pyrimidin-6-one
PubChem CID136918142
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name5-amino-4-[bis(3-methylbutyl)amino]-1H-pyrimidin-6-one
SMILESCC(C)CCN(CCC(C)C)c1nc[nH]c(=O)c1N
InChIInChI=1S/C14H26N4O/c1-10(2)5-7-18(8-6-11(3)4)13-12(15)14(19)17-9-16-13/h9-11H,5-8,15H2,1-4H3,(H,16,17,19)
InChIKeyUWBLYZMHICUYQR-UHFFFAOYSA-N
XLogP2.25
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[bis(3-methylbutyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[bis(3-methylbutyl)amino]-1H-pyrimidin-6-one (CID 136918142) is 5-amino-4-[bis(3-methylbutyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[bis(3-methylbutyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[bis(3-methylbutyl)amino]-1H-pyrimidin-6-one is CC(C)CCN(CCC(C)C)c1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[bis(3-methylbutyl)amino]-1H-pyrimidin-6-one?
The InChIKey is UWBLYZMHICUYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-10(2)5-7-18(8-6-11(3)4)13-12(15)14(19)17-9-16-13/h9-11H,5-8,15H2,1-4H3,(H,16,17,19).
What are the key properties of 5-amino-4-[bis(3-methylbutyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[bis(3-methylbutyl)amino]-1H-pyrimidin-6-one has a molecular weight of 266.39 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[bis(3-methylbutyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136918142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).