5-(2-aminopropyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one

C8H13N3O2 — CID 55253950

IUPAC5-(2-aminopropyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(O)c(CC(C)N)c(=O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-4(9)3-6-7(12)10-5(2)11-8(6)13/h4H,3,9H2,1-2H3,(H2,10,11,12,13)
InChIKeyBPUOFXUWJPFLQT-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.33
Rot. Bonds2

About 5-(2-aminopropyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one

5-(2-aminopropyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one (PubChem CID 55253950) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 5-(2-aminopropyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-aminopropyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one
PubChem CID55253950
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name5-(2-aminopropyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(O)c(CC(C)N)c(=O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-4(9)3-6-7(12)10-5(2)11-8(6)13/h4H,3,9H2,1-2H3,(H2,10,11,12,13)
InChIKeyBPUOFXUWJPFLQT-UHFFFAOYSA-N
XLogP-0.33
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-aminopropyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one (CID 55253950) is 5-(2-aminopropyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-aminopropyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-aminopropyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one is Cc1nc(O)c(CC(C)N)c(=O)[nH]1.
What is the InChIKey of 5-(2-aminopropyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
The InChIKey is BPUOFXUWJPFLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-4(9)3-6-7(12)10-5(2)11-8(6)13/h4H,3,9H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 5-(2-aminopropyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
5-(2-aminopropyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one has a molecular weight of 183.21 g/mol, XLogP of -0.33, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 55253950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).