6-amino-3-(3-hydroxypropyl)-1-methyl-5-(propylamino)pyrimidine-2,4-dione

C11H20N4O3 — CID 129112209

IUPAC6-amino-3-(3-hydroxypropyl)-1-methyl-5-(propylamino)pyrimidine-2,4-dione
SMILESCCCNc1c(N)n(C)c(=O)n(CCCO)c1=O
InChIInChI=1S/C11H20N4O3/c1-3-5-13-8-9(12)14(2)11(18)15(10(8)17)6-4-7-16/h13,16H,3-7,12H2,1-2H3
InChIKeyOEPXDGZTHDOSBO-UHFFFAOYSA-N
MW256.31 g/mol
LogP-0.67
Rot. Bonds6

About 6-amino-3-(3-hydroxypropyl)-1-methyl-5-(propylamino)pyrimidine-2,4-dione

6-amino-3-(3-hydroxypropyl)-1-methyl-5-(propylamino)pyrimidine-2,4-dione (PubChem CID 129112209) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 6-amino-3-(3-hydroxypropyl)-1-methyl-5-(propylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-(3-hydroxypropyl)-1-methyl-5-(propylamino)pyrimidine-2,4-dione
PubChem CID129112209
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Name6-amino-3-(3-hydroxypropyl)-1-methyl-5-(propylamino)pyrimidine-2,4-dione
SMILESCCCNc1c(N)n(C)c(=O)n(CCCO)c1=O
InChIInChI=1S/C11H20N4O3/c1-3-5-13-8-9(12)14(2)11(18)15(10(8)17)6-4-7-16/h13,16H,3-7,12H2,1-2H3
InChIKeyOEPXDGZTHDOSBO-UHFFFAOYSA-N
XLogP-0.67
TPSA102.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-Amino-5-(butylamino)-1-(2-methylpropyl)-2,4(1H,3H)-pyrimidinedione
CID 3813450
6-Amino-5-(butylamino)-1-propylpyrimidine-2,4(1H,3H)-dione
CID 2398074
6-Amino-1-butyl-5-(propylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2363721
6-Amino-1-butyl-5-[(2-methylpropyl)amino]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2384333
6-Amino-1-butyl-5-(ethylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2393504
6-Amino-1-(2-methylpropyl)-5-[(2-methylpropyl)amino]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2366802
6-Amino-1-butyl-5-butylamino-1H-pyrimidine-2,4-dione
CID 2341171
6-Amino-5-((2-methoxyethyl)amino)-1-propyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2113051
Acetaldehyde, ((6-amino-1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-5-pyrimidinyl)amino)-
CID 157951
6-Amino-1-ethyl-5-(ethylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 47003040
5-amino-6-(3-hydroxypropylamino)-3-methyl-1H-pyrimidine-2,4-dione
CID 10965871
Klu89pbv3E
CID 141478266

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(3-hydroxypropyl)-1-methyl-5-(propylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-(3-hydroxypropyl)-1-methyl-5-(propylamino)pyrimidine-2,4-dione (CID 129112209) is 6-amino-3-(3-hydroxypropyl)-1-methyl-5-(propylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-(3-hydroxypropyl)-1-methyl-5-(propylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-(3-hydroxypropyl)-1-methyl-5-(propylamino)pyrimidine-2,4-dione is CCCNc1c(N)n(C)c(=O)n(CCCO)c1=O.
What is the InChIKey of 6-amino-3-(3-hydroxypropyl)-1-methyl-5-(propylamino)pyrimidine-2,4-dione?
The InChIKey is OEPXDGZTHDOSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-3-5-13-8-9(12)14(2)11(18)15(10(8)17)6-4-7-16/h13,16H,3-7,12H2,1-2H3.
What are the key properties of 6-amino-3-(3-hydroxypropyl)-1-methyl-5-(propylamino)pyrimidine-2,4-dione?
6-amino-3-(3-hydroxypropyl)-1-methyl-5-(propylamino)pyrimidine-2,4-dione has a molecular weight of 256.31 g/mol, XLogP of -0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(3-hydroxypropyl)-1-methyl-5-(propylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 129112209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).