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

C18H29N5O3 — CID 47523078

IUPAC6-amino-5-[butyl-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCCCCN(Cc1nc(C)c(C)o1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C18H29N5O3/c1-6-7-8-22(10-14-20-12(4)13(5)26-14)15-16(19)23(9-11(2)3)18(25)21-17(15)24/h11H,6-10,19H2,1-5H3,(H,21,24,25)
InChIKeyFODFPSONEYNDRR-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.19
Rot. Bonds8

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

6-amino-5-[butyl-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 47523078) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 6-amino-5-[butyl-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[butyl-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
PubChem CID47523078
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Name6-amino-5-[butyl-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCCCCN(Cc1nc(C)c(C)o1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C18H29N5O3/c1-6-7-8-22(10-14-20-12(4)13(5)26-14)15-16(19)23(9-11(2)3)18(25)21-17(15)24/h11H,6-10,19H2,1-5H3,(H,21,24,25)
InChIKeyFODFPSONEYNDRR-UHFFFAOYSA-N
XLogP2.19
TPSA110.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[butyl-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[butyl-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione (CID 47523078) is 6-amino-5-[butyl-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[butyl-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[butyl-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione is CCCCN(Cc1nc(C)c(C)o1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[butyl-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is FODFPSONEYNDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-6-7-8-22(10-14-20-12(4)13(5)26-14)15-16(19)23(9-11(2)3)18(25)21-17(15)24/h11H,6-10,19H2,1-5H3,(H,21,24,25).
What are the key properties of 6-amino-5-[butyl-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
6-amino-5-[butyl-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 363.46 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[butyl-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 47523078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).