2-tert-butyl-4-N-[1-(furan-2-yl)ethyl]-5-methylpyrimidine-4,6-diamine

C15H22N4O — CID 80993149

IUPAC2-tert-butyl-4-N-[1-(furan-2-yl)ethyl]-5-methylpyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)(C)C)nc1NC(C)c1ccco1
InChIInChI=1S/C15H22N4O/c1-9-12(16)18-14(15(3,4)5)19-13(9)17-10(2)11-7-6-8-20-11/h6-8,10H,1-5H3,(H3,16,17,18,19)
InChIKeyWPNGRJQEHIWFRI-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.43
Rot. Bonds3

About 2-tert-butyl-4-N-[1-(furan-2-yl)ethyl]-5-methylpyrimidine-4,6-diamine

2-tert-butyl-4-N-[1-(furan-2-yl)ethyl]-5-methylpyrimidine-4,6-diamine (PubChem CID 80993149) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-tert-butyl-4-N-[1-(furan-2-yl)ethyl]-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-[1-(furan-2-yl)ethyl]-5-methylpyrimidine-4,6-diamine
PubChem CID80993149
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-tert-butyl-4-N-[1-(furan-2-yl)ethyl]-5-methylpyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)(C)C)nc1NC(C)c1ccco1
InChIInChI=1S/C15H22N4O/c1-9-12(16)18-14(15(3,4)5)19-13(9)17-10(2)11-7-6-8-20-11/h6-8,10H,1-5H3,(H3,16,17,18,19)
InChIKeyWPNGRJQEHIWFRI-UHFFFAOYSA-N
XLogP3.43
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-[1-(furan-2-yl)ethyl]-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-[1-(furan-2-yl)ethyl]-5-methylpyrimidine-4,6-diamine (CID 80993149) is 2-tert-butyl-4-N-[1-(furan-2-yl)ethyl]-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-[1-(furan-2-yl)ethyl]-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-[1-(furan-2-yl)ethyl]-5-methylpyrimidine-4,6-diamine is Cc1c(N)nc(C(C)(C)C)nc1NC(C)c1ccco1.
What is the InChIKey of 2-tert-butyl-4-N-[1-(furan-2-yl)ethyl]-5-methylpyrimidine-4,6-diamine?
The InChIKey is WPNGRJQEHIWFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-9-12(16)18-14(15(3,4)5)19-13(9)17-10(2)11-7-6-8-20-11/h6-8,10H,1-5H3,(H3,16,17,18,19).
What are the key properties of 2-tert-butyl-4-N-[1-(furan-2-yl)ethyl]-5-methylpyrimidine-4,6-diamine?
2-tert-butyl-4-N-[1-(furan-2-yl)ethyl]-5-methylpyrimidine-4,6-diamine has a molecular weight of 274.37 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-N-[1-(furan-2-yl)ethyl]-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80993149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).