6-amino-5-[(4-hydroxy-1-methoxybutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione

C13H24N4O4 — CID 106157854

IUPAC6-amino-5-[(4-hydroxy-1-methoxybutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NC(CCO)COC)c(=O)n(C)c1=O
InChIInChI=1S/C13H24N4O4/c1-4-6-17-11(14)10(12(19)16(2)13(17)20)15-9(5-7-18)8-21-3/h9,15,18H,4-8,14H2,1-3H3
InChIKeyYAYRXFNAYBXZLL-UHFFFAOYSA-N
MW300.36 g/mol
LogP-0.65
Rot. Bonds8

About 6-amino-5-[(4-hydroxy-1-methoxybutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione

6-amino-5-[(4-hydroxy-1-methoxybutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione (PubChem CID 106157854) has the molecular formula C13H24N4O4 and a molecular weight of 300.36 g/mol. Its IUPAC name is 6-amino-5-[(4-hydroxy-1-methoxybutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(4-hydroxy-1-methoxybutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
PubChem CID106157854
Molecular FormulaC13H24N4O4
Molecular Weight300.36 g/mol
Exact Mass300.18
IUPAC Name6-amino-5-[(4-hydroxy-1-methoxybutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NC(CCO)COC)c(=O)n(C)c1=O
InChIInChI=1S/C13H24N4O4/c1-4-6-17-11(14)10(12(19)16(2)13(17)20)15-9(5-7-18)8-21-3/h9,15,18H,4-8,14H2,1-3H3
InChIKeyYAYRXFNAYBXZLL-UHFFFAOYSA-N
XLogP-0.65
TPSA111.51 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-amino-5-[(4-hydroxy-1-methoxybutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione with MolForge

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Related Compounds

6-amino-5-[(1-hydroxy-4-methylpentan-3-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
CID 106350527
6-amino-5-[(1-methoxy-3-methylbutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
CID 65047999
6-amino-5-[(1-hydroxy-3-methylbutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
CID 79246336
6-amino-3-methyl-5-(4-methylpentan-2-ylamino)-1-propylpyrimidine-2,4-dione
CID 60919883
6-amino-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
CID 106144538
6-amino-3-methyl-1-propyl-5-(prop-2-ynylamino)pyrimidine-2,4-dione
CID 60676346
2-[(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)amino]-N-methylacetamide
CID 60677988
2-[(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)amino]ethylurea
CID 83112782
5,6-diamino-3-methyl-1-propylpyrimidine-2,4-dione
CID 14257879
6-amino-1-butyl-5-[(3-hydroxy-2-methylpropyl)amino]-3-methylpyrimidine-2,4-dione
CID 61362996
6-amino-5-(2-but-3-enoxyethylamino)-3-methyl-1-propylpyrimidine-2,4-dione
CID 106405156
6-amino-5-[2-[[(2R)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 9420731

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(4-hydroxy-1-methoxybutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(4-hydroxy-1-methoxybutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione (CID 106157854) is 6-amino-5-[(4-hydroxy-1-methoxybutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(4-hydroxy-1-methoxybutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(4-hydroxy-1-methoxybutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(NC(CCO)COC)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-[(4-hydroxy-1-methoxybutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione?
The InChIKey is YAYRXFNAYBXZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O4/c1-4-6-17-11(14)10(12(19)16(2)13(17)20)15-9(5-7-18)8-21-3/h9,15,18H,4-8,14H2,1-3H3.
What are the key properties of 6-amino-5-[(4-hydroxy-1-methoxybutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione?
6-amino-5-[(4-hydroxy-1-methoxybutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione has a molecular weight of 300.36 g/mol, XLogP of -0.65, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(4-hydroxy-1-methoxybutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 106157854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).