6-amino-1-benzyl-5-[(2-methyloxolan-3-yl)methylamino]pyrimidine-2,4-dione

C17H22N4O3 — CID 114106337

IUPAC6-amino-1-benzyl-5-[(2-methyloxolan-3-yl)methylamino]pyrimidine-2,4-dione
SMILESCC1OCCC1CNc1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C17H22N4O3/c1-11-13(7-8-24-11)9-19-14-15(18)21(17(23)20-16(14)22)10-12-5-3-2-4-6-12/h2-6,11,13,19H,7-10,18H2,1H3,(H,20,22,23)
InChIKeyVPRVZWVCLRRJLD-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.00
Rot. Bonds5

About 6-amino-1-benzyl-5-[(2-methyloxolan-3-yl)methylamino]pyrimidine-2,4-dione

6-amino-1-benzyl-5-[(2-methyloxolan-3-yl)methylamino]pyrimidine-2,4-dione (PubChem CID 114106337) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 6-amino-1-benzyl-5-[(2-methyloxolan-3-yl)methylamino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-benzyl-5-[(2-methyloxolan-3-yl)methylamino]pyrimidine-2,4-dione
PubChem CID114106337
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name6-amino-1-benzyl-5-[(2-methyloxolan-3-yl)methylamino]pyrimidine-2,4-dione
SMILESCC1OCCC1CNc1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C17H22N4O3/c1-11-13(7-8-24-11)9-19-14-15(18)21(17(23)20-16(14)22)10-12-5-3-2-4-6-12/h2-6,11,13,19H,7-10,18H2,1H3,(H,20,22,23)
InChIKeyVPRVZWVCLRRJLD-UHFFFAOYSA-N
XLogP1.00
TPSA102.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-benzyl-5-[(2-methyloxolan-3-yl)methylamino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-benzyl-5-[(2-methyloxolan-3-yl)methylamino]pyrimidine-2,4-dione (CID 114106337) is 6-amino-1-benzyl-5-[(2-methyloxolan-3-yl)methylamino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-benzyl-5-[(2-methyloxolan-3-yl)methylamino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-benzyl-5-[(2-methyloxolan-3-yl)methylamino]pyrimidine-2,4-dione is CC1OCCC1CNc1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-benzyl-5-[(2-methyloxolan-3-yl)methylamino]pyrimidine-2,4-dione?
The InChIKey is VPRVZWVCLRRJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11-13(7-8-24-11)9-19-14-15(18)21(17(23)20-16(14)22)10-12-5-3-2-4-6-12/h2-6,11,13,19H,7-10,18H2,1H3,(H,20,22,23).
What are the key properties of 6-amino-1-benzyl-5-[(2-methyloxolan-3-yl)methylamino]pyrimidine-2,4-dione?
6-amino-1-benzyl-5-[(2-methyloxolan-3-yl)methylamino]pyrimidine-2,4-dione has a molecular weight of 330.39 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-benzyl-5-[(2-methyloxolan-3-yl)methylamino]pyrimidine-2,4-dione is sourced from PubChem (CID 114106337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).