6-[(3-hydroxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione

C10H17N3O3 — CID 43233549

IUPAC6-[(3-hydroxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CNCCCO)cc(=O)n(C)c1=O
InChIInChI=1S/C10H17N3O3/c1-12-8(7-11-4-3-5-14)6-9(15)13(2)10(12)16/h6,11,14H,3-5,7H2,1-2H3
InChIKeyZVKWRSMJUPJTBG-UHFFFAOYSA-N
MW227.26 g/mol
LogP-1.44
Rot. Bonds5

About 6-[(3-hydroxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione

6-[(3-hydroxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 43233549) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 6-[(3-hydroxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(3-hydroxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID43233549
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name6-[(3-hydroxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CNCCCO)cc(=O)n(C)c1=O
InChIInChI=1S/C10H17N3O3/c1-12-8(7-11-4-3-5-14)6-9(15)13(2)10(12)16/h6,11,14H,3-5,7H2,1-2H3
InChIKeyZVKWRSMJUPJTBG-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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Related Compounds

3-(2-Hydroxyethyl)-6-methyluracil
CID 2802244
6-[(3-Hydroxypropyl)amino]-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione
CID 4995094
6-[3-(Aminooxypropylamino)methyl]uracil, dihydrochloride
CID 25210524
1-(2-hydroxyethyl)-6-methylpyrimidine-2,4(1H,3H)-dione
CID 819272
5-amino-6-(3-hydroxypropylamino)-3-methyl-1H-pyrimidine-2,4-dione
CID 10965871
3-(2-Hydroxypropyl)-6-methyluracil
CID 129807550
6-methyl-3-(2-{methyl[(3-methyloxetan-3-yl)methyl]amino}ethyl)pyrimidine-2,4(1H,3H)-dione
CID 91840659
3-{2-[(2,3-dihydroxypropyl)(methyl)amino]ethyl}-6-methylpyrimidine-2,4(1H,3H)-dione
CID 91843261
1H-Pyrimidine-2,4-dione, 1-[4-(2-hydroxyethylamino)butyl]-3,6-dimethyl-
CID 3645072
1,3-Bis(b-aminoethyl)-6-methyluracil
CID 12641807
1-(3-Hydroxypropyl)-6-methylpyrimidine-2,4-dione
CID 24848831
3-(8-Hydroxyethyl)-6-methyluracil
CID 129806240

Frequently Asked Questions

What is the IUPAC name of 6-[(3-hydroxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[(3-hydroxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 43233549) is 6-[(3-hydroxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[(3-hydroxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[(3-hydroxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(CNCCCO)cc(=O)n(C)c1=O.
What is the InChIKey of 6-[(3-hydroxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is ZVKWRSMJUPJTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-12-8(7-11-4-3-5-14)6-9(15)13(2)10(12)16/h6,11,14H,3-5,7H2,1-2H3.
What are the key properties of 6-[(3-hydroxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[(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 6-[(3-hydroxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 43233549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).