2-(3-aminopropyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one

C10H17N3O2 — CID 63554461

IUPAC2-(3-aminopropyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(CCCN)[nH]c1=O
InChIInChI=1S/C10H17N3O2/c1-6(2)8-9(14)12-7(4-3-5-11)13-10(8)15/h6H,3-5,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyJTVJDTYVDOYZLX-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.49
Rot. Bonds4

About 2-(3-aminopropyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one

2-(3-aminopropyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 63554461) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(3-aminopropyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-aminopropyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID63554461
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-(3-aminopropyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(CCCN)[nH]c1=O
InChIInChI=1S/C10H17N3O2/c1-6(2)8-9(14)12-7(4-3-5-11)13-10(8)15/h6H,3-5,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyJTVJDTYVDOYZLX-UHFFFAOYSA-N
XLogP0.49
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-aminopropyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (CID 63554461) is 2-(3-aminopropyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-aminopropyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-aminopropyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1c(O)nc(CCCN)[nH]c1=O.
What is the InChIKey of 2-(3-aminopropyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is JTVJDTYVDOYZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-6(2)8-9(14)12-7(4-3-5-11)13-10(8)15/h6H,3-5,11H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 2-(3-aminopropyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
2-(3-aminopropyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 211.26 g/mol, XLogP of 0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 63554461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).