6-amino-1-butyl-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrimidine-2,4-dione

C15H23N5O3 — CID 56818333

IUPAC6-amino-1-butyl-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N(C)Cc2nc(C)c(C)o2)c(=O)[nH]c1=O
InChIInChI=1S/C15H23N5O3/c1-5-6-7-20-13(16)12(14(21)18-15(20)22)19(4)8-11-17-9(2)10(3)23-11/h5-8,16H2,1-4H3,(H,18,21,22)
InChIKeyQJJRZIDESKXJFQ-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.16
Rot. Bonds6

About 6-amino-1-butyl-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrimidine-2,4-dione

6-amino-1-butyl-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrimidine-2,4-dione (PubChem CID 56818333) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 6-amino-1-butyl-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrimidine-2,4-dione
PubChem CID56818333
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Name6-amino-1-butyl-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N(C)Cc2nc(C)c(C)o2)c(=O)[nH]c1=O
InChIInChI=1S/C15H23N5O3/c1-5-6-7-20-13(16)12(14(21)18-15(20)22)19(4)8-11-17-9(2)10(3)23-11/h5-8,16H2,1-4H3,(H,18,21,22)
InChIKeyQJJRZIDESKXJFQ-UHFFFAOYSA-N
XLogP1.16
TPSA110.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butyl-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrimidine-2,4-dione (CID 56818333) is 6-amino-1-butyl-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrimidine-2,4-dione is CCCCn1c(N)c(N(C)Cc2nc(C)c(C)o2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-butyl-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrimidine-2,4-dione?
The InChIKey is QJJRZIDESKXJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-5-6-7-20-13(16)12(14(21)18-15(20)22)19(4)8-11-17-9(2)10(3)23-11/h5-8,16H2,1-4H3,(H,18,21,22).
What are the key properties of 6-amino-1-butyl-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrimidine-2,4-dione?
6-amino-1-butyl-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrimidine-2,4-dione has a molecular weight of 321.38 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-butyl-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrimidine-2,4-dione is sourced from PubChem (CID 56818333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).