2-propan-2-yl-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one

C14H25N3O2 — CID 136883379

IUPAC2-propan-2-yl-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one
SMILESCC(C)OCCCCNc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C14H25N3O2/c1-10(2)14-16-12(9-13(18)17-14)15-7-5-6-8-19-11(3)4/h9-11H,5-8H2,1-4H3,(H2,15,16,17,18)
InChIKeyLOPNZTBMMLRGJG-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.51
Rot. Bonds8

About 2-propan-2-yl-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one

2-propan-2-yl-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one (PubChem CID 136883379) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-propan-2-yl-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-propan-2-yl-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one
PubChem CID136883379
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-propan-2-yl-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one
SMILESCC(C)OCCCCNc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C14H25N3O2/c1-10(2)14-16-12(9-13(18)17-14)15-7-5-6-8-19-11(3)4/h9-11H,5-8H2,1-4H3,(H2,15,16,17,18)
InChIKeyLOPNZTBMMLRGJG-UHFFFAOYSA-N
XLogP2.51
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-propan-2-yl-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one (CID 136883379) is 2-propan-2-yl-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-propan-2-yl-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-propan-2-yl-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one is CC(C)OCCCCNc1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of 2-propan-2-yl-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one?
The InChIKey is LOPNZTBMMLRGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-10(2)14-16-12(9-13(18)17-14)15-7-5-6-8-19-11(3)4/h9-11H,5-8H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 2-propan-2-yl-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one?
2-propan-2-yl-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one has a molecular weight of 267.37 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136883379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).