5-amino-4-[bis(2-methylpropyl)amino]-1H-pyrimidin-6-one

C12H22N4O — CID 135568292

IUPAC5-amino-4-[bis(2-methylpropyl)amino]-1H-pyrimidin-6-one
SMILESCC(C)CN(CC(C)C)c1nc[nH]c(=O)c1N
InChIInChI=1S/C12H22N4O/c1-8(2)5-16(6-9(3)4)11-10(13)12(17)15-7-14-11/h7-9H,5-6,13H2,1-4H3,(H,14,15,17)
InChIKeyFKNSDLLMVMHKFR-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.47
Rot. Bonds5

About 5-amino-4-[bis(2-methylpropyl)amino]-1H-pyrimidin-6-one

5-amino-4-[bis(2-methylpropyl)amino]-1H-pyrimidin-6-one (PubChem CID 135568292) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-amino-4-[bis(2-methylpropyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[bis(2-methylpropyl)amino]-1H-pyrimidin-6-one
PubChem CID135568292
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name5-amino-4-[bis(2-methylpropyl)amino]-1H-pyrimidin-6-one
SMILESCC(C)CN(CC(C)C)c1nc[nH]c(=O)c1N
InChIInChI=1S/C12H22N4O/c1-8(2)5-16(6-9(3)4)11-10(13)12(17)15-7-14-11/h7-9H,5-6,13H2,1-4H3,(H,14,15,17)
InChIKeyFKNSDLLMVMHKFR-UHFFFAOYSA-N
XLogP1.47
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.47
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(2-methylpropyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[bis(2-methylpropyl)amino]-1H-pyrimidin-6-one (CID 135568292) is 5-amino-4-[bis(2-methylpropyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[bis(2-methylpropyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[bis(2-methylpropyl)amino]-1H-pyrimidin-6-one is CC(C)CN(CC(C)C)c1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[bis(2-methylpropyl)amino]-1H-pyrimidin-6-one?
The InChIKey is FKNSDLLMVMHKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-8(2)5-16(6-9(3)4)11-10(13)12(17)15-7-14-11/h7-9H,5-6,13H2,1-4H3,(H,14,15,17).
What are the key properties of 5-amino-4-[bis(2-methylpropyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[bis(2-methylpropyl)amino]-1H-pyrimidin-6-one has a molecular weight of 238.33 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[bis(2-methylpropyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 135568292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).