2-(2-aminopropyl)-4-methoxy-1H-pyrimidin-6-one

C8H13N3O2 — CID 105440513

IUPAC2-(2-aminopropyl)-4-methoxy-1H-pyrimidin-6-one
SMILESCOc1cc(=O)[nH]c(CC(C)N)n1
InChIInChI=1S/C8H13N3O2/c1-5(9)3-6-10-7(12)4-8(11-6)13-2/h4-5H,3,9H2,1-2H3,(H,10,11,12)
InChIKeyGPTBHYHWZORZQX-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.33
Rot. Bonds3

About 2-(2-aminopropyl)-4-methoxy-1H-pyrimidin-6-one

2-(2-aminopropyl)-4-methoxy-1H-pyrimidin-6-one (PubChem CID 105440513) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(2-aminopropyl)-4-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-aminopropyl)-4-methoxy-1H-pyrimidin-6-one
PubChem CID105440513
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-(2-aminopropyl)-4-methoxy-1H-pyrimidin-6-one
SMILESCOc1cc(=O)[nH]c(CC(C)N)n1
InChIInChI=1S/C8H13N3O2/c1-5(9)3-6-10-7(12)4-8(11-6)13-2/h4-5H,3,9H2,1-2H3,(H,10,11,12)
InChIKeyGPTBHYHWZORZQX-UHFFFAOYSA-N
XLogP-0.33
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Ethyl-4-ethoxy-6-hydroxypyrimidine
CID 12940703
6-Methoxy-2-(propan-2-yl)pyrimidin-4(3H)-one
CID 23338958
2-ethyl-4-methoxy-1H-pyrimidin-6-one
CID 103846153
ethane;4-methoxy-2-methyl-1H-pyrimidin-6-one
CID 161322465
2-Ethyl-6-propoxypyrimidin-4(1H)-one
CID 45117356
6-Propoxy-2-propylpyrimidin-4(1H)-one
CID 45117371
2-(2-Aminopropyl)pyrimidin-4-ol
CID 63362827
2-(2-Aminobutyl)-3,4-dihydropyrimidin-4-one
CID 63362862
2-(2-Aminopropyl)pyrimidine-4,6-diol
CID 63554645
2-(1-Aminopropyl)pyrimidine-4,6-diol
CID 63555001
2-(1-aminobutyl)-4-hydroxy-1H-pyrimidin-6-one
CID 63555530
2-(2-aminobutyl)-4-hydroxy-1H-pyrimidin-6-one
CID 63555540

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-4-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-aminopropyl)-4-methoxy-1H-pyrimidin-6-one (CID 105440513) is 2-(2-aminopropyl)-4-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-aminopropyl)-4-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-aminopropyl)-4-methoxy-1H-pyrimidin-6-one is COc1cc(=O)[nH]c(CC(C)N)n1.
What is the InChIKey of 2-(2-aminopropyl)-4-methoxy-1H-pyrimidin-6-one?
The InChIKey is GPTBHYHWZORZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5(9)3-6-10-7(12)4-8(11-6)13-2/h4-5H,3,9H2,1-2H3,(H,10,11,12).
What are the key properties of 2-(2-aminopropyl)-4-methoxy-1H-pyrimidin-6-one?
2-(2-aminopropyl)-4-methoxy-1H-pyrimidin-6-one has a molecular weight of 183.21 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-4-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 105440513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).