2-tert-butyl-N-[2-(furan-2-yl)ethyl]-6-hydrazinylpyrimidin-4-amine

C14H21N5O — CID 80964340

IUPAC2-tert-butyl-N-[2-(furan-2-yl)ethyl]-6-hydrazinylpyrimidin-4-amine
SMILESCC(C)(C)c1nc(NN)cc(NCCc2ccco2)n1
InChIInChI=1S/C14H21N5O/c1-14(2,3)13-17-11(9-12(18-13)19-15)16-7-6-10-5-4-8-20-10/h4-5,8-9H,6-7,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyAPQPNDRWMVWZFT-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.31
Rot. Bonds5

About 2-tert-butyl-N-[2-(furan-2-yl)ethyl]-6-hydrazinylpyrimidin-4-amine

2-tert-butyl-N-[2-(furan-2-yl)ethyl]-6-hydrazinylpyrimidin-4-amine (PubChem CID 80964340) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-tert-butyl-N-[2-(furan-2-yl)ethyl]-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[2-(furan-2-yl)ethyl]-6-hydrazinylpyrimidin-4-amine
PubChem CID80964340
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name2-tert-butyl-N-[2-(furan-2-yl)ethyl]-6-hydrazinylpyrimidin-4-amine
SMILESCC(C)(C)c1nc(NN)cc(NCCc2ccco2)n1
InChIInChI=1S/C14H21N5O/c1-14(2,3)13-17-11(9-12(18-13)19-15)16-7-6-10-5-4-8-20-10/h4-5,8-9H,6-7,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyAPQPNDRWMVWZFT-UHFFFAOYSA-N
XLogP2.31
TPSA89.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-4-N-[2-(furan-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 80960709
[2-tert-butyl-6-(furan-2-ylmethylsulfanyl)pyrimidin-4-yl]hydrazine
CID 80979577
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
6-N-ethyl-4-N-[2-(furan-2-yl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80962187
2-ethyl-N-(furan-2-ylmethyl)-6-hydrazinylpyrimidin-4-amine
CID 80937643
4-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]butan-2-ol
CID 80968241
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-cyclopropyl-4-N-[2-(furan-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80960549
methyl 3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]propanoate
CID 80964160
2-tert-butyl-N-(furan-2-ylmethyl)-6-(2-methoxyethoxy)pyrimidin-4-amine
CID 82456929

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[2-(furan-2-yl)ethyl]-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-[2-(furan-2-yl)ethyl]-6-hydrazinylpyrimidin-4-amine (CID 80964340) is 2-tert-butyl-N-[2-(furan-2-yl)ethyl]-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-[2-(furan-2-yl)ethyl]-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-[2-(furan-2-yl)ethyl]-6-hydrazinylpyrimidin-4-amine is CC(C)(C)c1nc(NN)cc(NCCc2ccco2)n1.
What is the InChIKey of 2-tert-butyl-N-[2-(furan-2-yl)ethyl]-6-hydrazinylpyrimidin-4-amine?
The InChIKey is APQPNDRWMVWZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-14(2,3)13-17-11(9-12(18-13)19-15)16-7-6-10-5-4-8-20-10/h4-5,8-9H,6-7,15H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-tert-butyl-N-[2-(furan-2-yl)ethyl]-6-hydrazinylpyrimidin-4-amine?
2-tert-butyl-N-[2-(furan-2-yl)ethyl]-6-hydrazinylpyrimidin-4-amine has a molecular weight of 275.36 g/mol, XLogP of 2.31, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[2-(furan-2-yl)ethyl]-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80964340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).