4-hydroxy-2-[(propan-2-ylamino)methyl]-5-propyl-1H-pyrimidin-6-one

C11H19N3O2 — CID 63553563

IUPAC4-hydroxy-2-[(propan-2-ylamino)methyl]-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(CNC(C)C)[nH]c1=O
InChIInChI=1S/C11H19N3O2/c1-4-5-8-10(15)13-9(14-11(8)16)6-12-7(2)3/h7,12H,4-6H2,1-3H3,(H2,13,14,15,16)
InChIKeyLONRGLIYGZXDFF-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.93
Rot. Bonds5

About 4-hydroxy-2-[(propan-2-ylamino)methyl]-5-propyl-1H-pyrimidin-6-one

4-hydroxy-2-[(propan-2-ylamino)methyl]-5-propyl-1H-pyrimidin-6-one (PubChem CID 63553563) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-hydroxy-2-[(propan-2-ylamino)methyl]-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-[(propan-2-ylamino)methyl]-5-propyl-1H-pyrimidin-6-one
PubChem CID63553563
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-hydroxy-2-[(propan-2-ylamino)methyl]-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(CNC(C)C)[nH]c1=O
InChIInChI=1S/C11H19N3O2/c1-4-5-8-10(15)13-9(14-11(8)16)6-12-7(2)3/h7,12H,4-6H2,1-3H3,(H2,13,14,15,16)
InChIKeyLONRGLIYGZXDFF-UHFFFAOYSA-N
XLogP0.93
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[(propan-2-ylamino)methyl]-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-[(propan-2-ylamino)methyl]-5-propyl-1H-pyrimidin-6-one (CID 63553563) is 4-hydroxy-2-[(propan-2-ylamino)methyl]-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-[(propan-2-ylamino)methyl]-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-[(propan-2-ylamino)methyl]-5-propyl-1H-pyrimidin-6-one is CCCc1c(O)nc(CNC(C)C)[nH]c1=O.
What is the InChIKey of 4-hydroxy-2-[(propan-2-ylamino)methyl]-5-propyl-1H-pyrimidin-6-one?
The InChIKey is LONRGLIYGZXDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-5-8-10(15)13-9(14-11(8)16)6-12-7(2)3/h7,12H,4-6H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 4-hydroxy-2-[(propan-2-ylamino)methyl]-5-propyl-1H-pyrimidin-6-one?
4-hydroxy-2-[(propan-2-ylamino)methyl]-5-propyl-1H-pyrimidin-6-one has a molecular weight of 225.29 g/mol, XLogP of 0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[(propan-2-ylamino)methyl]-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 63553563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).