6-tert-butyl-2-N-methyl-4-N-(oxetan-3-yl)-2-N-propylpyrimidine-2,4-diamine

C15H26N4O — CID 118546945

IUPAC6-tert-butyl-2-N-methyl-4-N-(oxetan-3-yl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCN(C)c1nc(NC2COC2)cc(C(C)(C)C)n1
InChIInChI=1S/C15H26N4O/c1-6-7-19(5)14-17-12(15(2,3)4)8-13(18-14)16-11-9-20-10-11/h8,11H,6-7,9-10H2,1-5H3,(H,16,17,18)
InChIKeyJLRMZPNVNMUOME-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.43
Rot. Bonds5

About 6-tert-butyl-2-N-methyl-4-N-(oxetan-3-yl)-2-N-propylpyrimidine-2,4-diamine

6-tert-butyl-2-N-methyl-4-N-(oxetan-3-yl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 118546945) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 6-tert-butyl-2-N-methyl-4-N-(oxetan-3-yl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-tert-butyl-2-N-methyl-4-N-(oxetan-3-yl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID118546945
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name6-tert-butyl-2-N-methyl-4-N-(oxetan-3-yl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCN(C)c1nc(NC2COC2)cc(C(C)(C)C)n1
InChIInChI=1S/C15H26N4O/c1-6-7-19(5)14-17-12(15(2,3)4)8-13(18-14)16-11-9-20-10-11/h8,11H,6-7,9-10H2,1-5H3,(H,16,17,18)
InChIKeyJLRMZPNVNMUOME-UHFFFAOYSA-N
XLogP2.43
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-N-methyl-4-N-(oxetan-3-yl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 6-tert-butyl-2-N-methyl-4-N-(oxetan-3-yl)-2-N-propylpyrimidine-2,4-diamine (CID 118546945) is 6-tert-butyl-2-N-methyl-4-N-(oxetan-3-yl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-tert-butyl-2-N-methyl-4-N-(oxetan-3-yl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 6-tert-butyl-2-N-methyl-4-N-(oxetan-3-yl)-2-N-propylpyrimidine-2,4-diamine is CCCN(C)c1nc(NC2COC2)cc(C(C)(C)C)n1.
What is the InChIKey of 6-tert-butyl-2-N-methyl-4-N-(oxetan-3-yl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is JLRMZPNVNMUOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-6-7-19(5)14-17-12(15(2,3)4)8-13(18-14)16-11-9-20-10-11/h8,11H,6-7,9-10H2,1-5H3,(H,16,17,18).
What are the key properties of 6-tert-butyl-2-N-methyl-4-N-(oxetan-3-yl)-2-N-propylpyrimidine-2,4-diamine?
6-tert-butyl-2-N-methyl-4-N-(oxetan-3-yl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 278.40 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-N-methyl-4-N-(oxetan-3-yl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 118546945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).