6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidine-2,4-dione

C18H30N6O3 — CID 46594620

IUPAC6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidine-2,4-dione
SMILESCC(C)CN(Cc1nc(C(C)C)no1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C18H30N6O3/c1-10(2)7-23(9-13-20-16(12(5)6)22-27-13)14-15(19)24(8-11(3)4)18(26)21-17(14)25/h10-12H,7-9,19H2,1-6H3,(H,21,25,26)
InChIKeyWRMJLPDPCRLJKG-UHFFFAOYSA-N
MW378.48 g/mol
LogP1.94
Rot. Bonds8

About 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidine-2,4-dione

6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidine-2,4-dione (PubChem CID 46594620) has the molecular formula C18H30N6O3 and a molecular weight of 378.48 g/mol. Its IUPAC name is 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidine-2,4-dione
PubChem CID46594620
Molecular FormulaC18H30N6O3
Molecular Weight378.48 g/mol
Exact Mass378.24
IUPAC Name6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidine-2,4-dione
SMILESCC(C)CN(Cc1nc(C(C)C)no1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C18H30N6O3/c1-10(2)7-23(9-13-20-16(12(5)6)22-27-13)14-15(19)24(8-11(3)4)18(26)21-17(14)25/h10-12H,7-9,19H2,1-6H3,(H,21,25,26)
InChIKeyWRMJLPDPCRLJKG-UHFFFAOYSA-N
XLogP1.94
TPSA123.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidine-2,4-dione (CID 46594620) is 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidine-2,4-dione is CC(C)CN(Cc1nc(C(C)C)no1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidine-2,4-dione?
The InChIKey is WRMJLPDPCRLJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O3/c1-10(2)7-23(9-13-20-16(12(5)6)22-27-13)14-15(19)24(8-11(3)4)18(26)21-17(14)25/h10-12H,7-9,19H2,1-6H3,(H,21,25,26).
What are the key properties of 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidine-2,4-dione?
6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidine-2,4-dione has a molecular weight of 378.48 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidine-2,4-dione is sourced from PubChem (CID 46594620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).