2-tert-butyl-4-N-(furan-2-ylmethyl)-6-methoxypyrimidine-4,5-diamine

C14H20N4O2 — CID 82458716

IUPAC2-tert-butyl-4-N-(furan-2-ylmethyl)-6-methoxypyrimidine-4,5-diamine
SMILESCOc1nc(C(C)(C)C)nc(NCc2ccco2)c1N
InChIInChI=1S/C14H20N4O2/c1-14(2,3)13-17-11(10(15)12(18-13)19-4)16-8-9-6-5-7-20-9/h5-7H,8,15H2,1-4H3,(H,16,17,18)
InChIKeyDLFVLZOEFKITMW-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.57
Rot. Bonds4

About 2-tert-butyl-4-N-(furan-2-ylmethyl)-6-methoxypyrimidine-4,5-diamine

2-tert-butyl-4-N-(furan-2-ylmethyl)-6-methoxypyrimidine-4,5-diamine (PubChem CID 82458716) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-tert-butyl-4-N-(furan-2-ylmethyl)-6-methoxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-(furan-2-ylmethyl)-6-methoxypyrimidine-4,5-diamine
PubChem CID82458716
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-tert-butyl-4-N-(furan-2-ylmethyl)-6-methoxypyrimidine-4,5-diamine
SMILESCOc1nc(C(C)(C)C)nc(NCc2ccco2)c1N
InChIInChI=1S/C14H20N4O2/c1-14(2,3)13-17-11(10(15)12(18-13)19-4)16-8-9-6-5-7-20-9/h5-7H,8,15H2,1-4H3,(H,16,17,18)
InChIKeyDLFVLZOEFKITMW-UHFFFAOYSA-N
XLogP2.57
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-tert-butyl-4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80980729
2-tert-butyl-4-N-(furan-2-ylmethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80980628
6-ethoxy-4-N-(furan-2-ylmethyl)-2-propan-2-ylpyrimidine-4,5-diamine
CID 82455871
4-N-(furan-2-ylmethyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5,6-triamine
CID 19142538
4-N-(furan-2-ylmethyl)-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82458649
2-chloro-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-4,5-diamine
CID 7147199
2-tert-butyl-N-(furan-2-ylmethyl)-6-(2-methoxyethoxy)pyrimidin-4-amine
CID 82456929
4-N-(furan-2-ylmethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455196
N-(furan-2-ylmethyl)-8-methoxy-2-methylpyrido[3,2-d]pyrimidin-4-amine
CID 174269563
N-(furan-2-ylmethyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80932085
6-(4-bromophenoxy)-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine
CID 19146183
N-(furan-2-ylmethyl)-3-methoxy-1-methylpyrazol-4-amine;hydrochloride
CID 126966130

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-(furan-2-ylmethyl)-6-methoxypyrimidine-4,5-diamine?
The IUPAC name of 2-tert-butyl-4-N-(furan-2-ylmethyl)-6-methoxypyrimidine-4,5-diamine (CID 82458716) is 2-tert-butyl-4-N-(furan-2-ylmethyl)-6-methoxypyrimidine-4,5-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-(furan-2-ylmethyl)-6-methoxypyrimidine-4,5-diamine?
The canonical SMILES for 2-tert-butyl-4-N-(furan-2-ylmethyl)-6-methoxypyrimidine-4,5-diamine is COc1nc(C(C)(C)C)nc(NCc2ccco2)c1N.
What is the InChIKey of 2-tert-butyl-4-N-(furan-2-ylmethyl)-6-methoxypyrimidine-4,5-diamine?
The InChIKey is DLFVLZOEFKITMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-14(2,3)13-17-11(10(15)12(18-13)19-4)16-8-9-6-5-7-20-9/h5-7H,8,15H2,1-4H3,(H,16,17,18).
What are the key properties of 2-tert-butyl-4-N-(furan-2-ylmethyl)-6-methoxypyrimidine-4,5-diamine?
2-tert-butyl-4-N-(furan-2-ylmethyl)-6-methoxypyrimidine-4,5-diamine has a molecular weight of 276.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-N-(furan-2-ylmethyl)-6-methoxypyrimidine-4,5-diamine is sourced from PubChem (CID 82458716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).