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

C15H22N4O — CID 80960709

IUPAC2-tert-butyl-4-N-[2-(furan-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(NCCc2ccco2)nc(C(C)(C)C)n1
InChIInChI=1S/C15H22N4O/c1-15(2,3)14-18-12(16-4)10-13(19-14)17-8-7-11-6-5-9-20-11/h5-6,9-10H,7-8H2,1-4H3,(H2,16,17,18,19)
InChIKeyQLSSWDSXUDUFPG-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.06
Rot. Bonds5

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

2-tert-butyl-4-N-[2-(furan-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine (PubChem CID 80960709) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-tert-butyl-4-N-[2-(furan-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-[2-(furan-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine
PubChem CID80960709
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-tert-butyl-4-N-[2-(furan-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(NCCc2ccco2)nc(C(C)(C)C)n1
InChIInChI=1S/C15H22N4O/c1-15(2,3)14-18-12(16-4)10-13(19-14)17-8-7-11-6-5-9-20-11/h5-6,9-10H,7-8H2,1-4H3,(H2,16,17,18,19)
InChIKeyQLSSWDSXUDUFPG-UHFFFAOYSA-N
XLogP3.06
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-N-[2-(furan-2-yl)ethyl]-6-hydrazinylpyrimidin-4-amine
CID 80964340
4-N-[2-(furan-2-yl)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80941818
6-chloro-N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767375
4-N-[2-(5-bromothiophen-2-yl)ethyl]-2-tert-butyl-6-N-methylpyrimidine-4,6-diamine
CID 106043263
6-N-ethyl-4-N-[2-(furan-2-yl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80962187
2-tert-butyl-6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine
CID 80958124
2-tert-butyl-6-(furan-2-yl)-N-propylpyrimidin-4-amine
CID 80952417
6-ethoxy-N-[2-(furan-2-yl)ethyl]-2-methylpyrimidin-4-amine
CID 66327724
2-tert-butyl-6-N-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 80956546
2-tert-butyl-6-N-methyl-4-N-(2-methylsulfinylethyl)pyrimidine-4,6-diamine
CID 113480692
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
CID 106343155
2-cyclopropyl-4-N-[2-(furan-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80960549

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-[2-(furan-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-[2-(furan-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine (CID 80960709) is 2-tert-butyl-4-N-[2-(furan-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-[2-(furan-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-[2-(furan-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine is CNc1cc(NCCc2ccco2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-N-[2-(furan-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is QLSSWDSXUDUFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-15(2,3)14-18-12(16-4)10-13(19-14)17-8-7-11-6-5-9-20-11/h5-6,9-10H,7-8H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 2-tert-butyl-4-N-[2-(furan-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine?
2-tert-butyl-4-N-[2-(furan-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 274.37 g/mol, XLogP of 3.06, 5 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-[2-(furan-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80960709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).