2-tert-butyl-N-(furan-3-ylmethyl)-6-hydrazinyl-N-methylpyrimidin-4-amine

C14H21N5O — CID 80965194

IUPAC2-tert-butyl-N-(furan-3-ylmethyl)-6-hydrazinyl-N-methylpyrimidin-4-amine
SMILESCN(Cc1ccoc1)c1cc(NN)nc(C(C)(C)C)n1
InChIInChI=1S/C14H21N5O/c1-14(2,3)13-16-11(18-15)7-12(17-13)19(4)8-10-5-6-20-9-10/h5-7,9H,8,15H2,1-4H3,(H,16,17,18)
InChIKeyRJHLQNPSBQDRBJ-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.29
Rot. Bonds4

About 2-tert-butyl-N-(furan-3-ylmethyl)-6-hydrazinyl-N-methylpyrimidin-4-amine

2-tert-butyl-N-(furan-3-ylmethyl)-6-hydrazinyl-N-methylpyrimidin-4-amine (PubChem CID 80965194) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-tert-butyl-N-(furan-3-ylmethyl)-6-hydrazinyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-(furan-3-ylmethyl)-6-hydrazinyl-N-methylpyrimidin-4-amine
PubChem CID80965194
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name2-tert-butyl-N-(furan-3-ylmethyl)-6-hydrazinyl-N-methylpyrimidin-4-amine
SMILESCN(Cc1ccoc1)c1cc(NN)nc(C(C)(C)C)n1
InChIInChI=1S/C14H21N5O/c1-14(2,3)13-16-11(18-15)7-12(17-13)19(4)8-10-5-6-20-9-10/h5-7,9H,8,15H2,1-4H3,(H,16,17,18)
InChIKeyRJHLQNPSBQDRBJ-UHFFFAOYSA-N
XLogP2.29
TPSA80.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.29
H-Bond Donors ≤ 52
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

6-N-ethyl-4-N-(furan-3-ylmethyl)-4-N-methylpyrimidine-2,4,6-triamine
CID 80795367
2-tert-butyl-6-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 80968252
2-tert-butyl-4-N,6-N-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80960657
3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-methylamino]-2-methylpropanenitrile
CID 80964711
6-hydrazinyl-N,2-dimethyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 80907338
2-tert-butyl-4-N,6-N-dimethyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 80960654
2-chloro-6-[furan-3-ylmethyl(methyl)amino]pyridine-4-carboxylic acid
CID 61422213
2-chloro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine
CID 62341687
5-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylpyridin-2-amine
CID 61421914
6-hydrazinyl-4-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80899123
2-tert-butyl-6-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 80963761
6-hydrazinyl-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrimidin-4-amine
CID 80907155

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(furan-3-ylmethyl)-6-hydrazinyl-N-methylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-(furan-3-ylmethyl)-6-hydrazinyl-N-methylpyrimidin-4-amine (CID 80965194) is 2-tert-butyl-N-(furan-3-ylmethyl)-6-hydrazinyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-(furan-3-ylmethyl)-6-hydrazinyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-(furan-3-ylmethyl)-6-hydrazinyl-N-methylpyrimidin-4-amine is CN(Cc1ccoc1)c1cc(NN)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-N-(furan-3-ylmethyl)-6-hydrazinyl-N-methylpyrimidin-4-amine?
The InChIKey is RJHLQNPSBQDRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-14(2,3)13-16-11(18-15)7-12(17-13)19(4)8-10-5-6-20-9-10/h5-7,9H,8,15H2,1-4H3,(H,16,17,18).
What are the key properties of 2-tert-butyl-N-(furan-3-ylmethyl)-6-hydrazinyl-N-methylpyrimidin-4-amine?
2-tert-butyl-N-(furan-3-ylmethyl)-6-hydrazinyl-N-methylpyrimidin-4-amine has a molecular weight of 275.36 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(furan-3-ylmethyl)-6-hydrazinyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80965194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).