6-tert-butyl-2-(1-methoxyethyl)-N-propylpyrimidin-4-amine

C14H25N3O — CID 79616490

IUPAC6-tert-butyl-2-(1-methoxyethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C(C)(C)C)nc(C(C)OC)n1
InChIInChI=1S/C14H25N3O/c1-7-8-15-12-9-11(14(3,4)5)16-13(17-12)10(2)18-6/h9-10H,7-8H2,1-6H3,(H,15,16,17)
InChIKeyGOWHABFPSKWDSH-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.30
Rot. Bonds5

About 6-tert-butyl-2-(1-methoxyethyl)-N-propylpyrimidin-4-amine

6-tert-butyl-2-(1-methoxyethyl)-N-propylpyrimidin-4-amine (PubChem CID 79616490) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 6-tert-butyl-2-(1-methoxyethyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-2-(1-methoxyethyl)-N-propylpyrimidin-4-amine
PubChem CID79616490
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name6-tert-butyl-2-(1-methoxyethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C(C)(C)C)nc(C(C)OC)n1
InChIInChI=1S/C14H25N3O/c1-7-8-15-12-9-11(14(3,4)5)16-13(17-12)10(2)18-6/h9-10H,7-8H2,1-6H3,(H,15,16,17)
InChIKeyGOWHABFPSKWDSH-UHFFFAOYSA-N
XLogP3.30
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(1-methoxyethyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-2-(1-methoxyethyl)-N-propylpyrimidin-4-amine (CID 79616490) is 6-tert-butyl-2-(1-methoxyethyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-2-(1-methoxyethyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-2-(1-methoxyethyl)-N-propylpyrimidin-4-amine is CCCNc1cc(C(C)(C)C)nc(C(C)OC)n1.
What is the InChIKey of 6-tert-butyl-2-(1-methoxyethyl)-N-propylpyrimidin-4-amine?
The InChIKey is GOWHABFPSKWDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-7-8-15-12-9-11(14(3,4)5)16-13(17-12)10(2)18-6/h9-10H,7-8H2,1-6H3,(H,15,16,17).
What are the key properties of 6-tert-butyl-2-(1-methoxyethyl)-N-propylpyrimidin-4-amine?
6-tert-butyl-2-(1-methoxyethyl)-N-propylpyrimidin-4-amine has a molecular weight of 251.37 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(1-methoxyethyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 79616490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).