6-[(2-benzyl-3-hydroxy-2-methylpropyl)amino]-3-methyl-1H-pyrimidine-2,4-dione

C16H21N3O3 — CID 167972287

IUPAC6-[(2-benzyl-3-hydroxy-2-methylpropyl)amino]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(NCC(C)(CO)Cc2ccccc2)[nH]c1=O
InChIInChI=1S/C16H21N3O3/c1-16(11-20,9-12-6-4-3-5-7-12)10-17-13-8-14(21)19(2)15(22)18-13/h3-8,17,20H,9-11H2,1-2H3,(H,18,22)
InChIKeyKXOKOUUEYRWOKV-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.73
Rot. Bonds6

About 6-[(2-benzyl-3-hydroxy-2-methylpropyl)amino]-3-methyl-1H-pyrimidine-2,4-dione

6-[(2-benzyl-3-hydroxy-2-methylpropyl)amino]-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 167972287) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 6-[(2-benzyl-3-hydroxy-2-methylpropyl)amino]-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(2-benzyl-3-hydroxy-2-methylpropyl)amino]-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID167972287
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name6-[(2-benzyl-3-hydroxy-2-methylpropyl)amino]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(NCC(C)(CO)Cc2ccccc2)[nH]c1=O
InChIInChI=1S/C16H21N3O3/c1-16(11-20,9-12-6-4-3-5-7-12)10-17-13-8-14(21)19(2)15(22)18-13/h3-8,17,20H,9-11H2,1-2H3,(H,18,22)
InChIKeyKXOKOUUEYRWOKV-UHFFFAOYSA-N
XLogP0.73
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-benzyl-3-hydroxy-2-methylpropyl)amino]-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[(2-benzyl-3-hydroxy-2-methylpropyl)amino]-3-methyl-1H-pyrimidine-2,4-dione (CID 167972287) is 6-[(2-benzyl-3-hydroxy-2-methylpropyl)amino]-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(2-benzyl-3-hydroxy-2-methylpropyl)amino]-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[(2-benzyl-3-hydroxy-2-methylpropyl)amino]-3-methyl-1H-pyrimidine-2,4-dione is Cn1c(=O)cc(NCC(C)(CO)Cc2ccccc2)[nH]c1=O.
What is the InChIKey of 6-[(2-benzyl-3-hydroxy-2-methylpropyl)amino]-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is KXOKOUUEYRWOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-16(11-20,9-12-6-4-3-5-7-12)10-17-13-8-14(21)19(2)15(22)18-13/h3-8,17,20H,9-11H2,1-2H3,(H,18,22).
What are the key properties of 6-[(2-benzyl-3-hydroxy-2-methylpropyl)amino]-3-methyl-1H-pyrimidine-2,4-dione?
6-[(2-benzyl-3-hydroxy-2-methylpropyl)amino]-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 303.36 g/mol, XLogP of 0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-benzyl-3-hydroxy-2-methylpropyl)amino]-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 167972287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).