5-[(3-hydroxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione

C10H17N3O3 — CID 28715822

IUPAC5-[(3-hydroxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CNCCCO)c(=O)n(C)c1=O
InChIInChI=1S/C10H17N3O3/c1-12-7-8(6-11-4-3-5-14)9(15)13(2)10(12)16/h7,11,14H,3-6H2,1-2H3
InChIKeyQCIXRIVHUPGIGN-UHFFFAOYSA-N
MW227.26 g/mol
LogP-1.44
Rot. Bonds5

About 5-[(3-hydroxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione

5-[(3-hydroxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 28715822) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 5-[(3-hydroxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(3-hydroxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID28715822
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name5-[(3-hydroxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CNCCCO)c(=O)n(C)c1=O
InChIInChI=1S/C10H17N3O3/c1-12-7-8(6-11-4-3-5-14)9(15)13(2)10(12)16/h7,11,14H,3-6H2,1-2H3
InChIKeyQCIXRIVHUPGIGN-UHFFFAOYSA-N
XLogP-1.44
TPSA76.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-1.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-hydroxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[(3-hydroxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 28715822) is 5-[(3-hydroxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[(3-hydroxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[(3-hydroxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1cc(CNCCCO)c(=O)n(C)c1=O.
What is the InChIKey of 5-[(3-hydroxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is QCIXRIVHUPGIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-12-7-8(6-11-4-3-5-14)9(15)13(2)10(12)16/h7,11,14H,3-6H2,1-2H3.
What are the key properties of 5-[(3-hydroxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[(3-hydroxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 227.26 g/mol, XLogP of -1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-hydroxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 28715822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).