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

C12H20N2O3 — CID 103241666

IUPAC2-propan-2-yl-4-(2-propoxyethoxy)-1H-pyrimidin-6-one
SMILESCCCOCCOc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C12H20N2O3/c1-4-5-16-6-7-17-11-8-10(15)13-12(14-11)9(2)3/h8-9H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyVQNQSWARDCPLNC-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.70
Rot. Bonds7

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

2-propan-2-yl-4-(2-propoxyethoxy)-1H-pyrimidin-6-one (PubChem CID 103241666) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-propan-2-yl-4-(2-propoxyethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-propan-2-yl-4-(2-propoxyethoxy)-1H-pyrimidin-6-one
PubChem CID103241666
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-propan-2-yl-4-(2-propoxyethoxy)-1H-pyrimidin-6-one
SMILESCCCOCCOc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C12H20N2O3/c1-4-5-16-6-7-17-11-8-10(15)13-12(14-11)9(2)3/h8-9H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyVQNQSWARDCPLNC-UHFFFAOYSA-N
XLogP1.70
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Ethyl-4-ethoxy-6-hydroxypyrimidine
CID 12940703
4(1H)-Pyrimidinone, 6-ethoxy-2-methyl-
CID 550166
2-propan-2-yl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 103240409
2-ethyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 103240550
2-propan-2-yl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 103240554
4-(2,2,3,3,3-pentafluoropropoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241794
4-(2,2-difluoroethoxy)-2-ethyl-1H-pyrimidin-6-one
CID 103241906
4-(2,2-difluoroethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241909
2-ethyl-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
CID 103241929
2-propan-2-yl-4-(4,4,4-trifluorobutoxy)-1H-pyrimidin-6-one
CID 113792803
2-propan-2-yl-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
CID 113792805
2-Cyclopropyl-6-methoxypyrimidin-4(1H)-one
CID 12945281

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-(2-propoxyethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-propan-2-yl-4-(2-propoxyethoxy)-1H-pyrimidin-6-one (CID 103241666) is 2-propan-2-yl-4-(2-propoxyethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-propan-2-yl-4-(2-propoxyethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-propan-2-yl-4-(2-propoxyethoxy)-1H-pyrimidin-6-one is CCCOCCOc1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of 2-propan-2-yl-4-(2-propoxyethoxy)-1H-pyrimidin-6-one?
The InChIKey is VQNQSWARDCPLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-4-5-16-6-7-17-11-8-10(15)13-12(14-11)9(2)3/h8-9H,4-7H2,1-3H3,(H,13,14,15).
What are the key properties of 2-propan-2-yl-4-(2-propoxyethoxy)-1H-pyrimidin-6-one?
2-propan-2-yl-4-(2-propoxyethoxy)-1H-pyrimidin-6-one has a molecular weight of 240.30 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-(2-propoxyethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103241666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).