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

C14H20N4O — CID 80980729

IUPAC2-tert-butyl-4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)(C)C)nc1NCc1ccco1
InChIInChI=1S/C14H20N4O/c1-9-11(15)17-13(14(2,3)4)18-12(9)16-8-10-6-5-7-19-10/h5-7H,8H2,1-4H3,(H3,15,16,17,18)
InChIKeyFHUHIDUVBAOPPQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.87
Rot. Bonds3

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

2-tert-butyl-4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine (PubChem CID 80980729) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-tert-butyl-4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine
PubChem CID80980729
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-tert-butyl-4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)(C)C)nc1NCc1ccco1
InChIInChI=1S/C14H20N4O/c1-9-11(15)17-13(14(2,3)4)18-12(9)16-8-10-6-5-7-19-10/h5-7H,8H2,1-4H3,(H3,15,16,17,18)
InChIKeyFHUHIDUVBAOPPQ-UHFFFAOYSA-N
XLogP2.87
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-4-N-(furan-2-ylmethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80980628
2-tert-butyl-4-N-(furan-2-ylmethyl)-6-methoxypyrimidine-4,5-diamine
CID 82458716
4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80766445
2-tert-butyl-4-N-[(3-chlorophenyl)methyl]-5-methylpyrimidine-4,6-diamine
CID 80985280
2-chloro-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-4,5-diamine
CID 7147199
4-N-[2-(furan-2-yl)ethyl]-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80987278
4-N-[(3-bromothiophen-2-yl)methyl]-2-tert-butyl-5-methylpyrimidine-4,6-diamine
CID 80992322
2-tert-butyl-6-(furan-2-ylmethylsulfanyl)-N,5-dimethylpyrimidin-4-amine
CID 80991282
N-(furan-2-ylmethyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430211
N-(furan-2-ylmethyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine
CID 21003570
1-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]propan-2-ol
CID 80993136
2-tert-butyl-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80980689

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine (CID 80980729) is 2-tert-butyl-4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine is Cc1c(N)nc(C(C)(C)C)nc1NCc1ccco1.
What is the InChIKey of 2-tert-butyl-4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine?
The InChIKey is FHUHIDUVBAOPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-9-11(15)17-13(14(2,3)4)18-12(9)16-8-10-6-5-7-19-10/h5-7H,8H2,1-4H3,(H3,15,16,17,18).
What are the key properties of 2-tert-butyl-4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine?
2-tert-butyl-4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine has a molecular weight of 260.34 g/mol, XLogP of 2.87, 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-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80980729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).