4-(3-aminopropoxy)-2-propan-2-yl-1H-pyrimidin-6-one

C10H17N3O2 — CID 114586367

IUPAC4-(3-aminopropoxy)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OCCCN)cc(=O)[nH]1
InChIInChI=1S/C10H17N3O2/c1-7(2)10-12-8(14)6-9(13-10)15-5-3-4-11/h6-7H,3-5,11H2,1-2H3,(H,12,13,14)
InChIKeyGREAJMQANGULHC-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.62
Rot. Bonds5

About 4-(3-aminopropoxy)-2-propan-2-yl-1H-pyrimidin-6-one

4-(3-aminopropoxy)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 114586367) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-(3-aminopropoxy)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-aminopropoxy)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID114586367
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-(3-aminopropoxy)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OCCCN)cc(=O)[nH]1
InChIInChI=1S/C10H17N3O2/c1-7(2)10-12-8(14)6-9(13-10)15-5-3-4-11/h6-7H,3-5,11H2,1-2H3,(H,12,13,14)
InChIKeyGREAJMQANGULHC-UHFFFAOYSA-N
XLogP0.62
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.62
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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Related Compounds

2-Ethyl-4-ethoxy-6-hydroxypyrimidine
CID 12940703
2-propan-2-yl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 103240409
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-propan-2-yl-1H-pyrimidin-6-one
CID 103241909
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
2-Cyclopropyl-6-ethoxypyrimidin-4(1H)-one
CID 12945284
2-tert-butyl-4-ethoxy-1H-pyrimidin-6-one
CID 14279697
6-Methoxy-2-(propan-2-yl)pyrimidin-4(3H)-one
CID 23338958
4-(2,2-dimethylpropoxy)-2-methyl-1H-pyrimidin-6-one
CID 166803033

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropoxy)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-aminopropoxy)-2-propan-2-yl-1H-pyrimidin-6-one (CID 114586367) is 4-(3-aminopropoxy)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-aminopropoxy)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-aminopropoxy)-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(OCCCN)cc(=O)[nH]1.
What is the InChIKey of 4-(3-aminopropoxy)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is GREAJMQANGULHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(2)10-12-8(14)6-9(13-10)15-5-3-4-11/h6-7H,3-5,11H2,1-2H3,(H,12,13,14).
What are the key properties of 4-(3-aminopropoxy)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(3-aminopropoxy)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 211.26 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropoxy)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 114586367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).