2-tert-butyl-6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine

C15H22N4O — CID 80958124

IUPAC2-tert-butyl-6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine
SMILESCNc1cc(NCc2ccc(C)o2)nc(C(C)(C)C)n1
InChIInChI=1S/C15H22N4O/c1-10-6-7-11(20-10)9-17-13-8-12(16-5)18-14(19-13)15(2,3)4/h6-8H,9H2,1-5H3,(H2,16,17,18,19)
InChIKeyIHEHXOSLGDWQJG-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.33
Rot. Bonds4

About 2-tert-butyl-6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine

2-tert-butyl-6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 80958124) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-tert-butyl-6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine
PubChem CID80958124
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-tert-butyl-6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine
SMILESCNc1cc(NCc2ccc(C)o2)nc(C(C)(C)C)n1
InChIInChI=1S/C15H22N4O/c1-10-6-7-11(20-10)9-17-13-8-12(16-5)18-14(19-13)15(2,3)4/h6-8H,9H2,1-5H3,(H2,16,17,18,19)
InChIKeyIHEHXOSLGDWQJG-UHFFFAOYSA-N
XLogP3.33
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4,6-triamine
CID 80832161
2-chloro-6-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidin-4-amine
CID 62523397
2-tert-butyl-4-N-[2-(furan-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 80960709
6-N-[(5-methylfuran-2-yl)methyl]pyridine-2,6-diamine
CID 80646710
2-tert-butyl-4-N-[(2-fluorophenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 80955396
methyl 4-methyl-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-2-carboxylate
CID 66284656
1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80967240
2-cyclopropyl-4-[(5-methylfuran-2-yl)methylamino]-1H-pyrimidin-6-one
CID 137016366
4-N-[2-(5-bromothiophen-2-yl)ethyl]-2-tert-butyl-6-N-methylpyrimidine-4,6-diamine
CID 106043263
1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-3-ethylpentan-2-ol
CID 106288889
2,6-ditert-butyl-N-methylpyrimidin-4-amine
CID 62192327
2-tert-butyl-6-(2,2-dimethylhydrazinyl)-N-methylpyrimidin-4-amine
CID 83024839

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine (CID 80958124) is 2-tert-butyl-6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine is CNc1cc(NCc2ccc(C)o2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is IHEHXOSLGDWQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-10-6-7-11(20-10)9-17-13-8-12(16-5)18-14(19-13)15(2,3)4/h6-8H,9H2,1-5H3,(H2,16,17,18,19).
What are the key properties of 2-tert-butyl-6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine?
2-tert-butyl-6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 274.37 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80958124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).