6-[[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]methyl]-1H-pyrimidine-2,4-dione

C15H21N5O2 — CID 138057865

IUPAC6-[[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]methyl]-1H-pyrimidine-2,4-dione
SMILESCC(C)c1cc(NCc2cc(=O)[nH]c(=O)[nH]2)nc(C(C)C)n1
InChIInChI=1S/C15H21N5O2/c1-8(2)11-6-12(19-14(18-11)9(3)4)16-7-10-5-13(21)20-15(22)17-10/h5-6,8-9H,7H2,1-4H3,(H,16,18,19)(H2,17,20,21,22)
InChIKeyIUCADJVHYAUDLH-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.71
Rot. Bonds5

About 6-[[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]methyl]-1H-pyrimidine-2,4-dione

6-[[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 138057865) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 6-[[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]methyl]-1H-pyrimidine-2,4-dione
PubChem CID138057865
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name6-[[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]methyl]-1H-pyrimidine-2,4-dione
SMILESCC(C)c1cc(NCc2cc(=O)[nH]c(=O)[nH]2)nc(C(C)C)n1
InChIInChI=1S/C15H21N5O2/c1-8(2)11-6-12(19-14(18-11)9(3)4)16-7-10-5-13(21)20-15(22)17-10/h5-6,8-9H,7H2,1-4H3,(H,16,18,19)(H2,17,20,21,22)
InChIKeyIUCADJVHYAUDLH-UHFFFAOYSA-N
XLogP1.71
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-[[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]methyl]-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]methyl]-1H-pyrimidine-2,4-dione (CID 138057865) is 6-[[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]methyl]-1H-pyrimidine-2,4-dione is CC(C)c1cc(NCc2cc(=O)[nH]c(=O)[nH]2)nc(C(C)C)n1.
What is the InChIKey of 6-[[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is IUCADJVHYAUDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-8(2)11-6-12(19-14(18-11)9(3)4)16-7-10-5-13(21)20-15(22)17-10/h5-6,8-9H,7H2,1-4H3,(H,16,18,19)(H2,17,20,21,22).
What are the key properties of 6-[[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]methyl]-1H-pyrimidine-2,4-dione?
6-[[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 303.37 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 138057865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).