4,6-dimethoxy-N-(4-methyl-4-phenylpentan-2-yl)pyrimidin-2-amine

C18H25N3O2 — CID 134709520

IUPAC4,6-dimethoxy-N-(4-methyl-4-phenylpentan-2-yl)pyrimidin-2-amine
SMILESCOc1cc(OC)nc(NC(C)CC(C)(C)c2ccccc2)n1
InChIInChI=1S/C18H25N3O2/c1-13(12-18(2,3)14-9-7-6-8-10-14)19-17-20-15(22-4)11-16(21-17)23-5/h6-11,13H,12H2,1-5H3,(H,19,20,21)
InChIKeyLSSJLLZSJZDDSG-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.66
Rot. Bonds7

About 4,6-dimethoxy-N-(4-methyl-4-phenylpentan-2-yl)pyrimidin-2-amine

4,6-dimethoxy-N-(4-methyl-4-phenylpentan-2-yl)pyrimidin-2-amine (PubChem CID 134709520) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 4,6-dimethoxy-N-(4-methyl-4-phenylpentan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-(4-methyl-4-phenylpentan-2-yl)pyrimidin-2-amine
PubChem CID134709520
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name4,6-dimethoxy-N-(4-methyl-4-phenylpentan-2-yl)pyrimidin-2-amine
SMILESCOc1cc(OC)nc(NC(C)CC(C)(C)c2ccccc2)n1
InChIInChI=1S/C18H25N3O2/c1-13(12-18(2,3)14-9-7-6-8-10-14)19-17-20-15(22-4)11-16(21-17)23-5/h6-11,13H,12H2,1-5H3,(H,19,20,21)
InChIKeyLSSJLLZSJZDDSG-UHFFFAOYSA-N
XLogP3.66
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-(4-methyl-4-phenylpentan-2-yl)pyrimidin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-(4-methyl-4-phenylpentan-2-yl)pyrimidin-2-amine (CID 134709520) is 4,6-dimethoxy-N-(4-methyl-4-phenylpentan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-(4-methyl-4-phenylpentan-2-yl)pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-(4-methyl-4-phenylpentan-2-yl)pyrimidin-2-amine is COc1cc(OC)nc(NC(C)CC(C)(C)c2ccccc2)n1.
What is the InChIKey of 4,6-dimethoxy-N-(4-methyl-4-phenylpentan-2-yl)pyrimidin-2-amine?
The InChIKey is LSSJLLZSJZDDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13(12-18(2,3)14-9-7-6-8-10-14)19-17-20-15(22-4)11-16(21-17)23-5/h6-11,13H,12H2,1-5H3,(H,19,20,21).
What are the key properties of 4,6-dimethoxy-N-(4-methyl-4-phenylpentan-2-yl)pyrimidin-2-amine?
4,6-dimethoxy-N-(4-methyl-4-phenylpentan-2-yl)pyrimidin-2-amine has a molecular weight of 315.42 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-(4-methyl-4-phenylpentan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 134709520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).