6-[[[3-(4-tert-butylphenyl)-2-methylpropyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione

C20H29N3O2 — CID 167766954

IUPAC6-[[[3-(4-tert-butylphenyl)-2-methylpropyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione
SMILESCC(Cc1ccc(C(C)(C)C)cc1)CN(C)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C20H29N3O2/c1-14(10-15-6-8-16(9-7-15)20(2,3)4)12-23(5)13-17-11-18(24)22-19(25)21-17/h6-9,11,14H,10,12-13H2,1-5H3,(H2,21,22,24,25)
InChIKeyLZLDGSGYMMCIEZ-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.67
Rot. Bonds6

About 6-[[[3-(4-tert-butylphenyl)-2-methylpropyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione

6-[[[3-(4-tert-butylphenyl)-2-methylpropyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 167766954) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 6-[[[3-(4-tert-butylphenyl)-2-methylpropyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[[3-(4-tert-butylphenyl)-2-methylpropyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione
PubChem CID167766954
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name6-[[[3-(4-tert-butylphenyl)-2-methylpropyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione
SMILESCC(Cc1ccc(C(C)(C)C)cc1)CN(C)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C20H29N3O2/c1-14(10-15-6-8-16(9-7-15)20(2,3)4)12-23(5)13-17-11-18(24)22-19(25)21-17/h6-9,11,14H,10,12-13H2,1-5H3,(H2,21,22,24,25)
InChIKeyLZLDGSGYMMCIEZ-UHFFFAOYSA-N
XLogP2.67
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[[3-(4-tert-butylphenyl)-2-methylpropyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[[[3-(4-tert-butylphenyl)-2-methylpropyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione (CID 167766954) is 6-[[[3-(4-tert-butylphenyl)-2-methylpropyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[[[3-(4-tert-butylphenyl)-2-methylpropyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[[[3-(4-tert-butylphenyl)-2-methylpropyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione is CC(Cc1ccc(C(C)(C)C)cc1)CN(C)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 6-[[[3-(4-tert-butylphenyl)-2-methylpropyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is LZLDGSGYMMCIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-14(10-15-6-8-16(9-7-15)20(2,3)4)12-23(5)13-17-11-18(24)22-19(25)21-17/h6-9,11,14H,10,12-13H2,1-5H3,(H2,21,22,24,25).
What are the key properties of 6-[[[3-(4-tert-butylphenyl)-2-methylpropyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione?
6-[[[3-(4-tert-butylphenyl)-2-methylpropyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 343.47 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[3-(4-tert-butylphenyl)-2-methylpropyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 167766954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).